Discover psa-lab/ProFlex Open Source project by PSA-Lab (@psa-lab)

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Language
Fortran
License
GNU General Publi...
Created over 6 years ago
Updated over 2 years ago

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MSU ProFlex (formerly called FIRST) predicts the rigid and flexible regions in a protein structure, given a Protein Data Bank (PDB) file including hydrogen atoms.

SimSite3D

The SimSite3D Software tools are designed to quickly search a database of three dimensional structures, in Protein Data Bank format, with protein-ligand binding sites to determine which binding sites in the database have steric and chemical similarities to the query binding site.

GLSL

SLIDE

SLIDE is a computational screening and flexible docking tool designed to discover ligands with good steric and chemical complementarity to the known three-dimensional structure of a protein's binding site.

Consolv

A tool for predicting whether water molecules bound to the surface of a protein are likely to be conserved or displaced in other, independently-solved crystallographic structures of the same protein

Sequery

Sequery is a tool to search the sequences of the protein structures in the Protein Data Bank (PDB) for a particular pattern of residues, which may include exact matches and acceptable substitutions based on a user-specified amino acid substitution matrix and/or a numerical threshold.

AGS Script

Protein-Alignment-Tool

BRAT shows key residue (e.g., ligand-binding) correspondences between sequence-divergent homologs aligned by structural superposition. BAT displays residues and their numeric properties (from the B-value column) of PDB structures, given their structural superposition.

Python

WatCH

WatCH is a tool for the calculation of conserved water sites in a series of related structures in Protein Data Bank files.

psa-lab/ProFlex

psa-lab

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