molinspiration: broad range of cheminformatics software tools supporting molecule manipulation
...nd SDfile conversion, normalization of molecules, generation of tautomers, molecule fragmentation, calculation of various molecular properties needed in QSAR, molecular modelling and drug design, high quality...1927 days ago
DISTRUCT: a program for the graphical display of population structure
distruct is a program that can be used to graphically display results produced by the genetic clustering program...f you register) [Download manual] [Download software note from Molecular...1863 days ago
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GROMACS: a versatile package to perform molecular dynamics
GROMACS is a versatile package to perform molecular dynamics, i.e simulate the Newtonian equations of motion for systems with...cleic acids. The WeNMR GROMACS web portal combines the versatility of this molecular...1362 days ago
vsFilt: A tool to improve virtual screening by structural filtration of docking poses
The vsFilt is the first open application for post-docking structural filtration, available as a web-server. The new t...to detect a wide range of interaction types that are known to be involved in molecular...1252 days ago
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homologizer: Phylogenetic phasing of gene copies into polyploid subgenomes
This tutorial describes the usage of homologizer to phase gene copies into polyploid subgenomes. The tutorial is an abbreviated version of a soon-to-be published paper in Methods in Molecular...331 days ago
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