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	<title><![CDATA[BOL: Related items]]></title>
	<link>https://bioinformaticsonline.com/related/36395?offset=0</link>
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	<guid isPermaLink="true">https://bioinformaticsonline.com/pages/view/36398/tools-for-protein-protein-docking</guid>
	<pubDate>Wed, 25 Apr 2018 05:15:53 -0500</pubDate>
	<link>https://bioinformaticsonline.com/pages/view/36398/tools-for-protein-protein-docking</link>
	<title><![CDATA[Tools for Protein-Protein Docking !]]></title>
	<description><![CDATA[<p>Predicting the structure of protein&ndash;protein complexes using docking approaches is a difficult problem whose major challenges include identifying correct solutions, and properly dealing with molecular flexibility and conformational changes. Following are the tools to predict&nbsp;<span>the structure of protein&ndash;protein complexes:</span></p><p><a href="http://www.sbg.bio.ic.ac.uk/docking/index.html" target="_blank">3D-Dock Suite</a></p><p>Global rigid search: FFTShape complementarity and electrostatics</p><p>Re-scoring and clustering. Refinement of interface side-chains</p><p><a href="http://www.sbg.bio.ic.ac.uk/~3dgarden/" target="_blank">3D-Garden</a></p><p>Global rigid search in ensamble</p><p>Shape complementarity and Lennard&ndash;Jones potential</p><p>Side chain and backbone dihedral refinement</p><p><a href="http://www.sdsc.edu/CCMS/DOT/" target="_blank">DOT</a></p><p>Global rigid search: FFTShape complementarity, electrostatics and VDWNone</p><p><a href="http://users.unimi.it/~ddl/escherng/index.htm" target="_blank">Escher NG</a></p><p>Global rigid searchShape complementarity, hydrogen bonds and electrostatic</p><p>Integrated in&nbsp;<a href="http://users.unimi.it/~ddl/vega/download.htm" target="_blank">VEGA</a></p><p><a href="http://vakser.bioinformatics.ku.edu/resources/gramm/gramm1" target="_blank">GRAMM</a>&nbsp;</p><p>Global rigid search: FFT. smooth protein surface representation for soft docking</p><p>Shape complementarity and Lennard-Jones potential</p><p>Clustering of conformations</p><p><a href="http://vakser.bioinformatics.ku.edu/resources/gramm/grammx/" target="_blank">GRAMM-X</a>&nbsp;</p><p>Global rigid search: FFT. smooth protein surface representation for soft docking</p><p>Shape complementarity and Lennard-Jones potentialminimization and re-scoring with multiple filters</p><p><a href="http://www.loria.fr/~ritchied/hex_server/" target="_blank">HEX</a></p><p>Global rigid search: Fourier correlation of spherical harmonics</p><p>Shape complementarity</p><p><a href="http://www.csd.abdn.ac.uk/hex/" target="_blank"></a><a href="http://haddock.chem.uu.nl/Haddock/haddock.php" target="_blank">HADDOCK</a></p><p>Global rigid searchElectrostatic ,VDW and desolvation energy termsMD simulated annealing refinement . Filtering based on external data.&nbsp;</p><p><a href="http://www.molsoft.com/docking.html">ICM</a></p><p>Global rigid search: Monte CarloEmpirical scoring function</p><p>Clustering and selection of conformations. Refinement of interface side-chains and re-scoring</p><p><a href="http://www.weizmann.ac.il/Chemical_Research_Support/molfit/" target="_blank">MolFit&nbsp;</a></p><p>Global rigid search: FFTShape complementarity</p><p>Clustering of good solutions, filtering using&nbsp;<em>a priori&nbsp;</em>information and small, local rigid rotations around selected conformations</p><p><a href="http://bioinfo3d.cs.tau.ac.il/PatchDock/" target="_blank">PatchDock</a></p><p>Global rigid searchShape complementarity and atomic desolvation energy</p><p>Clustering of conformations</p><p><a href="http://inb.bsc.es/gn6/PyDock" target="_blank">PyDock</a></p><p>Global rigid search:FFTShape complementarity</p><p>rescoring by binding electrostatics and desolvation energy</p><p><a href="http://bioinfo3d.cs.tau.ac.il/PatchDock/" target="_blank"></a><a href="http://rosettadock.graylab.jhu.edu/" target="_blank">RosettaDock</a></p><p>Local rigid search: Monte Carlo with low and high resolution structure representation levels</p><p>Different scoring parameters for the different resolutions&nbsp;</p><p><a href="http://zlab.bu.edu/zdock/" target="_blank">ZDOCK</a></p><p>Global rigid search: FFTShape complementarity, desolvation energy, and electrostatics.</p><p>Energy minimization and re-scoringFree for academics</p><p>&nbsp;</p><p>Point to note:</p><p>The proper treatment of flexibility in protein&ndash;protein docking is still an active field of research. You first should analyzed your proteins in order to define their conformational space and then choose the most suitable method for your docking problem.</p>]]></description>
	<dc:creator>Poonam Mahapatra</dc:creator>
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<item>
	<guid isPermaLink="true">https://bioinformaticsonline.com/pages/view/36384/binding-site-prediction-in-protein</guid>
	<pubDate>Wed, 25 Apr 2018 04:35:57 -0500</pubDate>
	<link>https://bioinformaticsonline.com/pages/view/36384/binding-site-prediction-in-protein</link>
	<title><![CDATA[Binding Site Prediction in Protein !]]></title>
	<description><![CDATA[<p><span>The interaction between proteins and other molecules is fundamental to all biological functions. In this section we include tools that can assist in prediction of interaction sites on protein surface and tools for predicting the structure of the intermolecular complex formed between two or more molecules (docking).</span></p><h4>Pockets Identification</h4><p><a href="http://sts.bioengr.uic.edu/castp/" target="_blank">CASTp</a></p><div style="text-align: justify;">Automatic Identification of pockets and cavities in proteins structure, and quantitation of their volumes using Delaunay triangulation. Available also as PyMOL plugin</div><p><a href="http://www.bioinformatics.leeds.ac.uk/pocketfinder/" target="_blank">Pocket-Finder</a></p><div style="text-align: justify;">Automatic identification of pockets and cavities in proteins structure, and quantitation of their volumes.</div><p><a href="http://gecco.org.chemie.uni-frankfurt.de/pocketpicker/index.html" target="_blank">PocketPicker</a></p><div style="text-align: justify;">Grid-based technique for the analysis of protein pockets. PocketPicker available as a plugin for&nbsp;<a href="https://bip.weizmann.ac.il/toolbox/structure/pymol.htm">PyMOL</a></div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;"><h4>Binding Site Prediction</h4>
<p><a href="http://consurf.tau.ac.il/" target="_blank">ConSurf</a></p>
</div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;">Identification of functional regions in proteins by surface-mapping of phylogenetic information</div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;"><a href="http://www-cryst.bioc.cam.ac.uk/~crescendo/crescendo.php" target="_blank">CRESCENDO</a></div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;">Identification protein interaction sites. It uses sequence conservation patterns in homologous proteins to distinguish between residues that are conserved due to structural restraints from those due to functional restraints.&nbsp;&nbsp;</div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;"><strong>Ligand Binding Sites</strong></div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;"><a href="http://www.sbg.bio.ic.ac.uk/~3dligandsite/" target="_blank">3DLigandSite</a></div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;">The server utilizes protein-structure prediction to provide structural models of the binding site. Ligands bound to structures are superimposed onto the model and use to predict the binding site.</div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;">F<a href="http://cssb.biology.gatech.edu/skolnick/files/FINDSITE/" target="_blank">INDSITE</a></div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;">A threading-based method for ligand-binding site prediction and functional annotation based on binding-site similarity across superimposed groups of threading templates.</div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;">
<p><a href="http://scoppi.biotec.tu-dresden.de/pocket/" target="_blank">LIGSITE<sup>csc</sup></a></p>
<div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;">Prediction of binding site by pocket identification using the Connolly surface and degree of conservation</div>
<p><a href="http://metapocket.eml.org/" target="_blank"></a></p>
</div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;"><a href="http://metapocket.eml.org/" target="_blank">metaPocket</a>A meta server for ligand-binding site prediction. metaPocket use&nbsp;<a href="https://bip.weizmann.ac.il/toolbox/structure/binding.htm#ligsite">LIGSITE<sup>csc</sup></a>,&nbsp;<a href="https://bip.weizmann.ac.il/toolbox/structure/binding.htm#pass">PASS</a>,&nbsp;<a href="https://bip.weizmann.ac.il/toolbox/structure/binding.htm#qsite">Q-SiteFinder</a>&nbsp;and&nbsp;<a href="http://www.biochem.ucl.ac.uk/~roman/surfnet/surfnet.html" target="_blank">SURFNET</a></div>]]></description>
	<dc:creator>Poonam Mahapatra</dc:creator>
</item>
<item>
	<guid isPermaLink="true">https://bioinformaticsonline.com/pages/view/8265/list-of-generic-simulation-softwaretoolsresource-with-brief-description-and-homepage</guid>
	<pubDate>Mon, 10 Feb 2014 05:57:29 -0600</pubDate>
	<link>https://bioinformaticsonline.com/pages/view/8265/list-of-generic-simulation-softwaretoolsresource-with-brief-description-and-homepage</link>
	<title><![CDATA[List of generic simulation software/tools/resource with brief description and homepage !!!]]></title>
	<description><![CDATA[<p>List of generic simulation software/tools/resource with brief description and homepage</p><p><img src="http://www.evolution-of-life.com/fileadmin/images/carousel/genetic.PNG" alt="image" style="border: 0px;"></p><p>ALF <br />A Simulation Framework for Genome Evolution <br />http://www.cbrg.ethz.ch/alf<br /><br />Bayesian Serial SimCoal <br />Bayesian Serial SimCoal, (BayeSSC) is a modification of SIMCOAL 1.0, a program written by Laurent Excoffier, John Novembre, and Stefan Schneider. <br />http://www.stanford.edu/group/hadlylab/ssc/index.html<br /><br />BEERS <br />BEERS was designed to benchmark RNA-Seq alignment algorithms and also algorithms that aim to reconstruct different isoforms and alternate splicing from RNA-Seq data <br />http://cbil.upenn.edu/beers/<br /><br />BOTTLENECK <br />Bottleneck is a program for detecting recent effective population size reductions from allele data frequencies <br />http://www.ensam.inra.fr/urlb/bottleneck/bottleneck.html<br /><br />BottleSim <br />BottleSim is a computer simulation program for simulating the process of population bottlenecks <br />http://chkuo.name/software/bottlesim.html<br /><br />CASS <br />Protein Sequence Simulation <br />http://www.wyomingbioinformatics.org/liberlesgroup/cass/<br /><br />CDPOP <br />CDPOP is a landscape genetics tool for simulating the emergence of spatial genetic structure in populations resulting from specified landscape processes governing organism movement behavior. <br />http://cel.dbs.umt.edu/cdpop<br /><br />CoalFace <br />CoalFace is a simulation of the coalescent process with the visual display of gene genealogies. <br />http://web.up.ac.za/default.asp?ipkcategoryid=3283<br /><br />CoaSim <br />CoaSim is a tool for simulating the coalescent process with recombination and geneconversion under various demographic models. <br />http://users-birc.au.dk/mailund/coasim/index.html<br /><br />cosi <br />The cosi package is written in C and is available as a tar file. <br />http://www.broadinstitute.org/~sfs/cosi/<br /><br />CS-PSeq-Gen <br />A program to simulate the evolution of protein sequences under the constraints of the information of a particular reconstructed phylogeny <br />http://bioserv.rpbs.univ-paris-diderot.fr/software/cs-pseq-gen.html<br /><br />DAWG <br />An application designed to simulate the evolution of recombinant DNA sequences in continuous time <br />http://scit.us/projects/dawg<br /><br />Easypop <br />EASYPOP is an individual based model intended to simulate datasets under a very broad range of conditions <br />http://www.unil.ch/dee/page36926_fr.html<br /><br />EggLib <br />EggLib is a C++/Python library and program package for evolutionary genetics and genomics. <br />http://egglib.sourceforge.net/<br /><br />EvolSimulator <br />A simulation test bed for hypotheses of genome evolution <br />http://acb.qfab.org/acb/evolsim/<br /><br />EvolveAGene <br />A realistic coding sequence simulation program that separates mutation from selection and allows the user to set selection conditions <br />http://bellinghamresearchinstitute.com/software/index.html<br /><br />fastsimcoal <br />A continuous-&not;‐time coalescent simulator of genomic diversity under arbitrarily complex evolutionary scenarios <br />http://cmpg.unibe.ch/software/fastsimcoal/<br /><br />FastSLINK <br />Simulation of Marker and Phenotype Data in Pedigrees <br />http://watson.hgen.pitt.edu/<br /><br />FFPopSim <br />C++/Python library for population genetics. <br />http://webdav.tuebingen.mpg.de/ffpopsim/<br /><br />FLUX SIMULATOR <br />The Flux Simulator aims at providing a deterministic in silico reproduction of the experimental pipelines for RNA-Seq, employing a minimal set of parameters. <br />http://flux.sammeth.net/simulator.html<br /><br />ForSim <br />ForSim: A Forward Evolutionary Computer Simulation <br />http://www.anthro.psu.edu/weiss_lab/research.shtml<br /><br />ForwSim <br />The program given below is based on the algorithm described in Padhukasahasram et al. 2008 to simulate genetic drift in a standard Wright-Fisher process. <br />http://badri-populationgeneticsimulators.blogspot.com/<br /><br />FPG <br />Forward Population Genetic simulation <br />http://genfaculty.rutgers.edu/hey/software#fpg<br /><br />FREGENE <br />FREGENE is a C++ program that simulates sequence-like data over large genomic regions in large diploid populations. <br />http://www.ebi.ac.uk/projects/bargen/download/fregen/documentation_html.html<br /><br />GAMETES <br />Genetic Architecture Model Emulator for Testing and Evaluating Software: Simulates complex SNP models with pure, strict epistatic interactions with n-loci. <br />http://sourceforge.net/projects/gametes/?source=navbar<br /><br />GASP <br />Genometric Analysis Simulation Program. A software tool for testing and investigating methods in statistical genetics by generating samples of family data based on user specified models. <br />http://research.nhgri.nih.gov/gasp/<br /><br />GemSIM <br />Next generation sequencing read simulator <br />http://sourceforge.net/projects/gemsim/<br /><br />GeneArtisan <br />Simulation of Markers in Case-Control Study Designs <br />http://www.rannala.org/?page_id=241<br /><br />GENOME <br />A rapid coalescent-based whole genome simulator <br />http://www.sph.umich.edu/csg/liang/genome/<br /><br />GenomePop2 <br />GenomePop2 is a specialization of the program GenomePop just to manage SNPs under more flexible and useful settings. If you need models with more than 2 alleles please use the GenomePop program version. <br />http://webs.uvigo.es/acraaj/genomepop2.htm<br /><br />GenomeSimla <br />GenomeSIMLA is currently under development- however, we have a beta release that we are asking to be tested <br />http://chgr.mc.vanderbilt.edu/genomesimla/<br /><br />GENS2 <br />Simulates interactions among two genetic and one environmental factor and also allows for epistatic interactions. <br />https://sourceforge.net/projects/gensim/<br /><br />GWAsimulator <br />A rapid whole genome simulation program <br />http://biostat.mc.vanderbilt.edu/wiki/main/gwasimulator<br /><br />HAP-SAMPLE <br />An association simulator for candidate regions or genome scans <br />http://www.hapsample.org/<br /><br />HAPGEN <br />A simulator for the simulation of case control datasets at SNP markers <br />https://mathgen.stats.ox.ac.uk/genetics_software/hapgen/hapgen2.html<br /><br />HapSim <br />A simulation tool for generating haplotype data with pre-specified allele frequencies and LD coefficients <br />http://cran.r-project.org/web/packages/hapsim/index.html<br /><br />HAPSIMU <br />A program that simulates heterogeneous populations with various known and controllable structures under the continuous migration model or the discrete model <br />http://l.web.umkc.edu/liujian/<br /><br />IBDsim <br />IBDSim is a computer package for the simulation of genotypic data under general isolation by distance models. <br />http://raphael.leblois.free.fr/<br /><br />indel-Seq-Gen <br />A biological sequence simulation program that simulates highly divergent DNA sequences and protein superfamilies <br />http://bioinfolab.unl.edu/~cstrope/isg/<br /><br />Indelible <br />A powerful and flexible simulator of biological evolution <br />http://abacus.gene.ucl.ac.uk/software/indelible/<br /><br />invertFREGENE <br />InvertFREGENE is a forward-in-time simulator of inversions in population genetic data <br />http://www.ebi.ac.uk/projects/bargen/<br /><br />kernalPop <br />A spatially explicit population genetic simulation engine <br />http://cran.r-project.org/src/contrib/archive/kernelpop/<br /><br />MaCS <br />Markovian Coalescent Simulator <br />http://www-hsc.usc.edu/~garykche/<br /><br />Mason <br />A package for the simulation of nucleotide data. <br />http://www.seqan.de/projects/mason/<br /><br />mbs <br />modifying Hudson's ms software to generate samples of DNA sequences with a biallelic site under selection <br />http://www.sendou.soken.ac.jp/esb/innan/innanlab/software.html<br /><br />Mendel's Accountant <br />Mendel's Accountant (MENDEL) is an advanced numerical simulation program for modeling genetic change over time and was developed collaboratively by Sanford, Baumgardner, Brewer, Gibson and ReMine <br />http://mendelsaccount.sourceforge.net/<br /><br />MetaSim <br />A tool to generate collections of synthetic reads that reflect the diverse taxonomical composition of typical metagenome data sets <br />http://ab.inf.uni-tuebingen.de/software/metasim/<br /><br />mlcoalsim <br />Multilocus Coalescent Simulations <br />http://code.google.com/p/mlcoalsim-v1/<br /><br />ms <br />The purpose of this program is to allow one to investigate the statistical properties of such samples, to evaluate estimators or statistical tests, and generally to aid in the interpretation of polymorphism data sets. <br />http://home.uchicago.edu/~rhudson1/source/mksamples.html<br /><br />msHOT <br />The purpose of this program is to allow one to investigate the statistical properties of such samples, to evaluate estimators or statistical tests, and generally to aid in the interpretation of polymorphism data sets. <br />http://home.uchicago.edu/~rhudson1/<br /><br />msms <br />A coalescent Simlation tool with selection. <br />http://www.mabs.at/ewing/msms/index.shtml<br /><br />MySSP <br />A program for the simulation of DNA sequence evolution across a phylogenetic tree <br />http://www.rosenberglab.net/software.php<br /><br />Nemo <br />A forward-time, individual-based, genetically explicit, and stochastic simulation program designed to study the evolution of genetic markers, life history traits, and phenotypic traits in a flexible (meta-)population framework. <br />http://nemo2.sourceforge.net/<br /><br />NetRecodon <br />Coalescent simulation of coding DNA sequences with recombination (inter and intracodon), migration and demography <br />http://code.google.com/p/netrecodon/<br /><br />PEDAGOG <br />Software for simulating eco-evolutionary population dynamics <br />https://bcrc.bio.umass.edu/pedigreesoftware/node/5<br /><br />phenosim <br />A tool to add phenotypes to simulated genotypes <br />http://evoplant.uni-hohenheim.de/doku.php?id=software:software<br /><br />PhyloSim <br />An R package for the Monte Carlo simulation of sequence evolution <br />http://bit.ly/rlsim-git<br /><br />pIRS <br />Profile-based Illumina pair-end reads simulator <br />https://code.google.com/p/pirs/<br /><br />ProteinEvolver <br />Simulation of protein evolution along phylogenies under structure-based substitution models <br />http://code.google.com/p/proteinevolver/<br /><br />QMSim <br />QTL and Marker Simulator <br />http://www.aps.uoguelph.ca/~msargol/qmsim/<br /><br />quantiNEMO <br />An individual-based program for the analysis of quantitative traits with explicit genetic architecture potentially under selection in a structured population <br />http://www2.unil.ch/popgen/softwares/quantinemo/<br /><br />RECOAL <br />Simulates new haplotype data from a reference population of haplotypes. <br />ftp://popgen.usc.edu/<br /><br />Recodon <br />Coalescent simulation of coding DNA sequences with recombination, migration and demography <br />http://code.google.com/p/recodon/<br /><br />rlsim <br />A package for simulating RNA-seq library preparation with parameter estimation <br />http://bit.ly/rlsim-git<br /><br />Rmetasim <br />Rmetasim is a front-end for the metasim engine that is implemented as a package that runs in the statistical computing environment R <br />http://linum.cofc.edu/software.html#metasim<br /><br />RNA Seq Simulator <br />RSS takes SAM alignment files from RNA-Seq data and simulates over dispersed, multiple replica, differential, non-stranded RNA-Seq datasets. <br />http://useq.sourceforge.net/cmdlnmenus.html#rnaseqsimulator<br /><br />Rose <br />Random model of sequence evolution <br />http://bibiserv.techfak.uni-bielefeld.de/rose/<br /><br />SelSim <br />SelSim is a program for Monte Carlo simulation of DNA polymorphism data for a recom- bining region within which a single bi-allelic site has experienced natural selection <br />http://www.well.ox.ac.uk/~spencer/selsim/<br /><br />Seq-Gen <br />An application for the Monte Carlo simulation of molecular sequence evolution along phylogenetic trees. <br />http://tree.bio.ed.ac.uk/software/seqgen/<br /><br />SEQPower <br />Statistical power analysis for sequence-based association studies <br />http://bioinformatics.org/spower/<br /><br />SeqSIMLA <br />SeqSIMLA can simulate sequence data with user-specified disease and quantitative trait models. Family or unrelated case-control data can be simulated. <br />http://seqsimla.sourceforge.net/<br /><br />Serial NetEvolve <br />A flexible utility for generating serially-sampled sequences along a tree or recombinant network <br />http://biorg.cis.fiu.edu/sne/<br /><br />SFS_CODE <br />SFS_CODE can perform forward population genetic simulations under a general Wright-Fisher model with arbitrary migration, demographic, selective, and mutational effects. <br />http://sfscode.sourceforge.net/sfs_code/index/index.html<br /><br />SIBSIM <br />Quantitative phenotype simulation in extended pedigrees <br />http://sourceforge.net/projects/sibsim/<br /><br />SIMCOAL2 <br />A coalescent program for the simulation of complex recombination patterns over large genomic regions under various demographic models <br />http://cmpg.unibe.ch/software/simcoal2/<br /><br />SimCopy <br />An R package simulating the evolution of copy number profiles along a tree. <br />http://bit.ly/simcopy<br /><br />SIMLA <br />SIMLA is a SIMuLAtion program that generates data sets of families for use in Linkage and Association studies. <br />http://www.chg.duke.edu/research/simla.html<br /><br />SimPed <br />A Simulation Program to Generate Haplotype and Genotype Data for Pedigree Structures <br />http://www.hgsc.bcm.tmc.edu/content/simped<br /><br />Simprot <br />A program to simulate protein evolution by substitution, insertion and deletion <br />http://www.uhnresearch.ca/labs/tillier/software.htm#3<br /><br />SimRare <br />Rare variant simulation and analysis tool <br />http://code.google.com/p/simrare/<br /><br />simuGWAS <br />A forward-time simulator that simulates realistic samples for genome-wide association studies. <br />http://simupop.sourceforge.net/cookbook/simucomplexdisease<br /><br />simuPOP <br />simuPOP is a general-purpose individual-based forward-time population genetics simulation environment. <br />http://simupop.sourceforge.net/<br /><br />SISSI <br />A software tool to generate data of related sequences along a given phylogeny, taking into account user defined system of neighbourhoods and instantaneous rate matrices. <br />http://www.cibiv.at/software/sissi/<br /><br />SNPsim <br />Coalescent simulation of hotspot recombination <br />http://code.google.com/p/phylosoftware/<br /><br />SPIP <br />SPIP simulates the transmission of genes from parents to offspring in a population having demographic structure defined by the user <br />http://swfsc.noaa.gov/textblock.aspx?division=fed&amp;id=3434<br /><br />Splatche <br />Spatial and Temporal Coalescences in Heterogeneous Environment <br />http://www.splatche.com/<br /><br />srv <br />Simulator of Rare Varaints (srv) is a simulator for the simulation of the introduction and evolution of (rare) genetic variants. <br />http://simupop.sourceforge.net/cookbook/simurarevariants<br /><br />SUP <br />SLINK/FastSLINK utility program <br />http://mlemire.freeshell.org/software.html<br /><br />TreesimJ <br />A flexible, forward-time population genetic simulator <br />http://code.google.com/p/treesimj/<br /><br />Vortex <br />VORTEX is an individual-based simulation model for population viability analysis (PVA). <br />http://www.vortex9.org/vortex.html<br /><br />References:</p><p>Image www.evolution-of-life.com</p><p>www.cancer.gov</p>]]></description>
	<dc:creator>Jit</dc:creator>
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	<guid isPermaLink="true">https://bioinformaticsonline.com/blog/view/42974/list-of-bioinformatics-packages-for-ngs-analysis</guid>
	<pubDate>Sat, 20 Mar 2021 00:28:51 -0500</pubDate>
	<link>https://bioinformaticsonline.com/blog/view/42974/list-of-bioinformatics-packages-for-ngs-analysis</link>
	<title><![CDATA[List of bioinformatics packages for NGS analysis !]]></title>
	<description><![CDATA[<p>Package suites gather software packages and installation tools for specific languages or platforms. We have some for bioinformatics software.</p><ul>
<li><a href="https://github.com/Bioconductor">Bioconductor</a>&nbsp;&ndash; A plethora of tools for analysis and comprehension of high-throughput genomic data, including 1500+ software packages. [&nbsp;<a href="https://link.springer.com/article/10.1186/gb-2004-5-10-r80">paper-2004</a>&nbsp;|&nbsp;<a href="https://www.bioconductor.org/">web</a>&nbsp;]</li>
<li><a href="https://github.com/biopython/biopython">Biopython</a>&nbsp;&ndash; Freely available tools for biological computing in Python, with included cookbook, packaging and thorough documentation. Part of the&nbsp;<a href="http://open-bio.org/">Open Bioinformatics Foundation</a>. Contains the very useful&nbsp;<a href="https://biopython.org/DIST/docs/api/Bio.Entrez-module.html">Entrez</a>&nbsp;package for API access to the NCBI databases. [&nbsp;<a href="https://pubmed.ncbi.nlm.nih.gov/19304878">paper-2009</a>&nbsp;|&nbsp;<a href="https://biopython.org/">web</a>&nbsp;]</li>
<li><a href="https://github.com/bioconda">Bioconda</a>&nbsp;&ndash; A channel for the&nbsp;<a href="http://conda.pydata.org/docs/intro.html">conda package manager</a>&nbsp;specializing in bioinformatics software. Includes a repository with 3000+ ready-to-install (with&nbsp;<code>conda install</code>) bioinformatics packages. [&nbsp;<a href="https://pubmed.ncbi.nlm.nih.gov/29967506">paper-2018</a>&nbsp;|&nbsp;<a href="https://bioconda.github.io/">web</a>&nbsp;]</li>
<li><a href="https://github.com/BioJulia">BioJulia</a>&nbsp;&ndash; Bioinformatics and computational biology infastructure for the Julia programming language. [&nbsp;<a href="https://biojulia.net/">web</a>&nbsp;]</li>
<li><a href="https://github.com/rust-bio/rust-bio">Rust-Bio</a>&nbsp;&ndash; Rust implementations of algorithms and data structures useful for bioinformatics. [&nbsp;<a href="http://bioinformatics.oxfordjournals.org/content/early/2015/10/06/bioinformatics.btv573.short?rss=1">paper-2016</a>&nbsp;]</li>
<li><a href="https://github.com/seqan/seqan3">SeqAn</a>&nbsp;&ndash; The modern C++ library for sequence analysis.</li>
</ul>]]></description>
	<dc:creator>Rahul Nayak</dc:creator>
</item>
<item>
	<guid isPermaLink="true">https://bioinformaticsonline.com/bookmarks/view/13523/megadock-40</guid>
	<pubDate>Thu, 07 Aug 2014 18:08:54 -0500</pubDate>
	<link>https://bioinformaticsonline.com/bookmarks/view/13523/megadock-40</link>
	<title><![CDATA[MEGADOCK 4.0]]></title>
	<description><![CDATA[<p>An ultra&ndash;high-performance protein&ndash;protein docking software for heterogeneous supercomputers</p>
<p id="p-4"><strong>Summary:</strong> The application of protein&ndash;protein docking in large-scale interactome analysis is a major challenge in structural bioinformatics and requires huge computing resources. In this work, we present MEGADOCK 4.0, an FFT-based docking software that makes extensive use of recent heterogeneous supercomputers and shows powerful, scalable performance of over 97% strong scaling.</p>
<p id="p-5"><strong>Availability and Implementation:</strong> MEGADOCK 4.0 is written in C++ with OpenMPI and NVIDIA CUDA 5.0 (or later) and is freely available to all academic and non-profit users at: <a href="http://www.bi.cs.titech.ac.jp/megadock">http://www.bi.cs.titech.ac.jp/megadock</a>.</p>
<p id="p-6"><strong>Contact:</strong> <a href="mailto:akiyama@cs.titech.ac.jp">akiyama@cs.titech.ac.jp</a></p><p>Address of the bookmark: <a href="http://bioinformatics.oxfordjournals.org/content/early/2014/08/06/bioinformatics.btu532.short" rel="nofollow">http://bioinformatics.oxfordjournals.org/content/early/2014/08/06/bioinformatics.btu532.short</a></p>]]></description>
	<dc:creator>Suleman Khan</dc:creator>
</item>
<item>
	<guid isPermaLink="true">https://bioinformaticsonline.com/pages/view/36392/protein-protein-interaction-sites-predictions</guid>
	<pubDate>Wed, 25 Apr 2018 04:53:20 -0500</pubDate>
	<link>https://bioinformaticsonline.com/pages/view/36392/protein-protein-interaction-sites-predictions</link>
	<title><![CDATA[Protein-Protein Interaction Sites Predictions !]]></title>
	<description><![CDATA[<p><span>The study of Protein&ndash;Protein Interactions (PPIs) has a crucial role in biology, medicine and the pharmaceutical industry. PPIs can be investigated from two aspects: The interaction partners of a specific protein and the amino acid residues participating in a given PPI. Information about a protein&rsquo;s interaction partners allows scientists to construct protein interaction networks, such as signaling pathways, which in turn facilitate the understanding of many biological and clinical observations.&nbsp;</span></p><p><span>Following are the list of tools commonly used to PPIs predictions:</span></p><p>Protein-Protein Interaction Sites</p><p><a href="http://pipe.scs.fsu.edu/ppisp.html" target="_blank">PPISP</a></p><p>A consensus neural network method for predicting protein-protein interaction sites</p><p><a href="http://biunit.naist.jp/homcos/" target="_blank">HOMCOS</a></p><p>A server to predict interacting protein pairs and interacting sites by homology modeling of complex structures</p><p><a href="http://prism.ccbb.ku.edu.tr/hotpoint/" target="_blank">HotPOINT</a></p><p>Prediction of protein interfaces using an empirical model</p><p><a href="http://cubic.bioc.columbia.edu/services/isis/" target="_blank">ISIS</a></p><p>Prediction of interaction hotspots from sequence</p><p><a href="http://kfc.mitchell-lab.org/" target="_blank">KFC server</a></p><p>Automated decision-tree approach to predicting protein-protein interaction hot spots</p><p><a href="http://pipe.scs.fsu.edu/meta-ppisp.html" target="_blank">meta-PPISP</a></p><p>A meta server for predicting protein-protein interaction sites. meta-PPISP is built on three individual web servers:&nbsp;<a href="https://bip.weizmann.ac.il/toolbox/structure/binding.htm#cons">cons-PPISP</a>,&nbsp;<a href="https://bip.weizmann.ac.il/toolbox/structure/binding.htm#pin">PINUP</a>, and&nbsp;<a href="https://bip.weizmann.ac.il/toolbox/structure/binding.htm#pro">Promate</a></p><p><a href="http://www.molsoft.com/oda.html" target="_blank">ODA</a></p><p>Identification of optimal surface patches with the lowest docking desolvation energy values</p><p><a href="http://sparks.informatics.iupui.edu/PINUP/" target="_blank">PINUP</a></p><p>Protein binding site prediction with an empirical scoring function</p><p>Other Sites (DNA, RNA, Metals)</p><p><a href="http://ligin.weizmann.ac.il/~lpgerzon/mbs4/mbs.cgi" target="_blank">CHED</a>&nbsp;</p><p>Web server for predicting soft metal binding sites in proteins</p><p><a href="http://cssb.biology.gatech.edu/skolnick/webservice/DBD-Hunter/" target="_blank">DBD-Hunter</a></p><p>A knowledge-based method for the prediction of DNA-protein interactions</p><p><a href="http://pipe.scs.fsu.edu/displar.html" target="_blank">DISPLAR</a></p><p>Given the structure of a protein known to bind DNA, the method predicts residues that contact DNA using neural network method</p><p><a href="http://idbps.tau.ac.il/" target="_blank">iDBPs</a></p><p>Predicts DNA binding proteins for proteins with known 3D structure.</p><p><a href="http://pfp.technion.ac.il/" target="_blank">PFplus</a></p><div style="text-align: left;">A tool for extracting and displaying positive electrostatic patches on protein surfaces which can be indicative of nucleic acid binding interfaces.</div>]]></description>
	<dc:creator>Poonam Mahapatra</dc:creator>
</item>
<item>
	<guid isPermaLink="true">https://bioinformaticsonline.com/bookmarks/view/926/list-of-popular-bioinformatics-softwaretools</guid>
	<pubDate>Tue, 16 Jul 2013 14:30:30 -0500</pubDate>
	<link>https://bioinformaticsonline.com/bookmarks/view/926/list-of-popular-bioinformatics-softwaretools</link>
	<title><![CDATA[List of popular bioinformatics software/tools]]></title>
	<description><![CDATA[<p><a href="http://samtools.sourceforge.net/swlist.shtml">I</a>n current genome era, our day to day work is to handle the huge geneome sequences, expression data, several other datasets. This link provide a comprehensive list of commonly used sofware/tools.</p><p>Address of the bookmark: <a href="http://samtools.sourceforge.net/swlist.shtml" rel="nofollow">http://samtools.sourceforge.net/swlist.shtml</a></p>]]></description>
	<dc:creator>Jitendra Narayan</dc:creator>
</item>
<item>
	<guid isPermaLink="true">https://bioinformaticsonline.com/bookmarks/view/17924/software-developed-in-pevsner-lab</guid>
	<pubDate>Mon, 06 Oct 2014 12:41:26 -0500</pubDate>
	<link>https://bioinformaticsonline.com/bookmarks/view/17924/software-developed-in-pevsner-lab</link>
	<title><![CDATA[Software developed in pevsner lab]]></title>
	<description><![CDATA[<div>
<div id="block-system-main">
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<div id="node-7">
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<div>
<div>
<div>
<p><a href="http://pevsnerlab.kennedykrieger.org/dragon.htm">DRAGON</a>: Database Referencing of Array Genes Online</p>
<p><a href="http://pevsnerlab.kennedykrieger.org/php/node/96">SNOMAD</a>: Standardization and Normalization of Microarray Data</p>
<p><a href="http://pevsnerlab.kennedykrieger.org/php/node/70">SNPduo</a>: SNP Analysis Between Two Individuals</p>
<p><a href="http://pevsnerlab.kennedykrieger.org/php/node/71">SNPtrio</a>: Analyzing and Visualizing and Inheritance Patterns in Trios</p>
<p><a href="http://pevsnerlab.kennedykrieger.org/php/node/64">SNPscan</a>: Data Analysis and Visualization of SNP Data</p>
<p><a href="http://pevsnerlab.kennedykrieger.org/php/node/64">pediSNP</a>: Analyze SNP Data From a Pedigree of Two Generations</p>
<p><a href="http://pevsnerlab.kennedykrieger.org/php/node/73">kcoeff</a>: Calculate Cotterman Coefficients of SNP Genotype Data</p>
<p><a href="http://pevsnerlab.kennedykrieger.org/php/node/113">triPOD:</a> Detects chromosomal abnormalities in parent-child trio-based microarray data</p>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div><p>Address of the bookmark: <a href="http://pevsnerlab.kennedykrieger.org/php/?q=software" rel="nofollow">http://pevsnerlab.kennedykrieger.org/php/?q=software</a></p>]]></description>
	<dc:creator>Robert M Willioms</dc:creator>
</item>
<item>
	<guid isPermaLink="true">https://bioinformaticsonline.com/bookmarks/view/36514/evidentialgene-tr2aacds-mrna-transcript-assembly-software</guid>
	<pubDate>Tue, 08 May 2018 04:39:39 -0500</pubDate>
	<link>https://bioinformaticsonline.com/bookmarks/view/36514/evidentialgene-tr2aacds-mrna-transcript-assembly-software</link>
	<title><![CDATA[EvidentialGene: tr2aacds, mRNA Transcript Assembly Software]]></title>
	<description><![CDATA[<p><span>EvidentialGene is a genome informatics project, "Evidence Directed Gene Construction for Eukaryotes", to construct high quality, accurate gene sets for animals and plants, developed by Don Gilbert at Indiana University, see</span><br><a href="http://arthropods.eugenes.org/EvidentialGene/" target="_blank">http://arthropods.eugenes.org/EvidentialGene/<span></span></a><br><br><span>Construction refers to the combination of classical gene prediction, and more recent gene assembly (de-novo and genome-assisted) methods. The basic Evigene methods involve using available best-of-breed gene prediction and assembly software, combining all evidence for genes, from expressed sequences, genome assembly sequences, related species protein sequences, and any other, to annotate and score gene constructions. Over-produced constructions are classified by gene evidence for best qualities per "locus", including genome-aligned and gene-transcript aligned (genome-free) locus identification. All software developed for EvidentialGene is publicly available. See project wiki/blog for notes.</span></p>
<p><span>Download&nbsp;</span></p>
<p>http://arthropods.eugenes.org/EvidentialGene/trassembly.html</p>
<p>https://sourceforge.net/p/evidentialgene/blog/</p><p>Address of the bookmark: <a href="http://arthropods.eugenes.org/EvidentialGene/trassembly.html" rel="nofollow">http://arthropods.eugenes.org/EvidentialGene/trassembly.html</a></p>]]></description>
	<dc:creator>Rahul Nayak</dc:creator>
</item>
<item>
	<guid isPermaLink="true">https://bioinformaticsonline.com/blog/view/42166/software-for-genome-assembly</guid>
	<pubDate>Sun, 30 Aug 2020 09:51:38 -0500</pubDate>
	<link>https://bioinformaticsonline.com/blog/view/42166/software-for-genome-assembly</link>
	<title><![CDATA[Software for genome assembly !]]></title>
	<description><![CDATA[<p>List of bioinformatics tools/Software Website References for genome assembly:</p><p>1 Falcon&nbsp;https://github.com/PacificBiosciences/pb-assembly</p><p>2 Canu assembler http://canu.readthedocs.io/en/latest/index.html</p><p>3 Miniasm assembler https://github.com/lh3/miniasm</p><p>4 PBJelly scaffolding tool https://sourceforge.net/projects/pb-jelly/</p><p>5 ARCS scaffolding tool https://github.com/bcgsc/arcs</p><p>6 Redundans reduction and scaffolding tool https://github.com/Gabaldonlab/redundans</p><p>7 Arrow error correction https://github.com/PacificBiosciences/ GenomicConsensus</p><p>8 PILON error correction https://github.com/broadinstitute/pilon/wiki</p><p>9 BUSCO single copy gene markers http://busco.ezlab.org/</p><p>10 Bandage graph assembly viewer https://rrwick.github.io/Bandage/</p><p>11 Gepard dotter http://cube.univie.ac.at/gepard</p><p>12 MUMmer aligner and plotter http://mummer.sourceforge.net/</p>]]></description>
	<dc:creator>LEGE</dc:creator>
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