A novel approach to pose selection in protein-ligand docking based on graph theory.
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Updated
Nov 22, 2016 - Python
A novel approach to pose selection in protein-ligand docking based on graph theory.
A toolkit for predicting the binding mode of small molecules interacting with proteins based on interfacial rigidification, as assessed by graph theoretic constraint counting on the covalent and noncovalent bond network. Raschka et al. (2016) Proteins: Structure, Function, and Bioinformatics
This script allows us to generate ORF for a given Protein Sequence.
A portfolio of the work done during COMP 260 during S17 at Wesleyan University
CheShift is a software for prediction of 13Cα and 13Cβ chemical shifts and validation of protein structures.
Search for new PDB structures corresponding to a search term and deposited after a certain date.
This script aims at reading a given PDB file and generation dihedral angles from it.
An automated method to map yeast variants to proteins modifications and functional regions
Code for a class (MIT 20.420) protein design project.
Multi-Atom Structure/Selection Toolkit with Interaction Capabilities
Tools for generating hydrogen-bond interaction visualizations from Hbind
Using Recurrent Neural Networks to predict secondary protein structure
fNN is a command line tool for predicting secondary structure of proteins using their primary sequence (in FASTA format).
GRASP-Func: Function sorting with local graph representation
Scripts for UCSF Chimera and PyChimera, for data analysis and graphics generation
HeliStatistiX tool for transmembrane helix analysis.
Extension for creating visualizations of distance restraints in PyRy3D Chimera Extension
Flexible protein alignment using Protein Units
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