molinspiration: broad range of cheminformatics software tools supporting molecule manipulation
Molinspiration offers broad range of cheminformatics software tools supporting molecule manipulati...eration of tautomers, molecule fragmentation, calculation of various molecular properties needed in QSAR, molecula...1936 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 Molecula...1872 days ago
1551 days ago
1422 days ago
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 s...s. The WeNMR GROMACS web portal combines the versatility of this molecular dynamics package with the calculation...1371 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 molecula...1261 days ago
oGNM:Conformational dynamics based on contact topology in a coarse-grained presentation
Gaussian Network Model (GNM) is a powerful tool to sample conformational dynamics based on contact topology in...present a method to consider protein dynamics in the presence of ‘env...r ligands) in a protein. The protein dynamics, in the presence of these &ls...843 days ago
456 days ago
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 Molecula...341 days ago
43 days ago