hSTING-ExcB protein-ligand docking
-
Updated
Jun 1, 2023 - Python
hSTING-ExcB protein-ligand docking
PIAWeb - a graphical web interface for PIA
Analysis on the number of non-hydrogen atomic contacts between a ligand and each of specified residues on the protein following molecular docking of multiple ligands to a protein structure.
The NRGsuite is a PyMOL plugin (GUI) for FlexAID
NRGsuite is a PyMOL plugin (GUI) for FlexAID
Repository for the Taba tool
Protein Recognition Index (PRI), measuring the similarity between H-bonding features in a given complex (predicted or designed) and the characteristic H-bond trends from crystallographic complexes
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
LigTMap currently supports prediction for 17 protein target classes that include 6000+ protein targets.
Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
A novel approach to pose selection in protein-ligand docking based on graph theory.
GaudiMM: A modular optimization platform for molecular design
Add a description, image, and links to the protein-ligand-docking topic page so that developers can more easily learn about it.
To associate your repository with the protein-ligand-docking topic, visit your repo's landing page and select "manage topics."