Topic: protein-ligand-docking Goto Github
Some thing interesting about protein-ligand-docking
Some thing interesting about protein-ligand-docking
protein-ligand-docking,hSTING-ExcB protein-ligand docking
User: drhuangwc
protein-ligand-docking,GaudiMM: A modular optimization platform for molecular design
Organization: insilichem
Home Page: http://gaudi.readthedocs.io
protein-ligand-docking,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.
User: kevinshliu
protein-ligand-docking,Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
User: ldeng0205
Home Page: https://arxiv.org/abs/2402.18396
protein-ligand-docking,Flexible Artificial Intelligence Docking
User: lmorency
Home Page: http://biophys.umontreal.ca/nrg/resources.html
protein-ligand-docking,The NRGsuite is a PyMOL plugin (GUI) for FlexAID
User: lmorency
Home Page: http://biophys.umontreal.ca/nrg/resources.html
protein-ligand-docking,Some shell functions to help scale and manage GOLD molecular docking jobs on an HPC
Organization: manaakiwhenua
protein-ligand-docking,PIAWeb - a graphical web interface for PIA
User: michabirklbauer
protein-ligand-docking,Automatic identification of important interactions and interaction-frequency-based scoring in protein-ligand complexes
User: michabirklbauer
Home Page: https://github.com/michabirklbauer/PIA
protein-ligand-docking,Root-mean-square deviation of atomic positions
User: neudinger
protein-ligand-docking,Flexible Artificial Intelligence Docking
Organization: nrglab
Home Page: http://biophys.umontreal.ca/nrg
protein-ligand-docking,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
User: rasbt
Home Page: http://psa-lab.github.io/protein-recognition-index
protein-ligand-docking,A novel approach to pose selection in protein-ligand docking based on graph theory.
User: rasbt
Home Page: http://psa-lab.github.io/siteinterlock/index.html
protein-ligand-docking,P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.
User: rdk
Home Page: https://rdk.github.io/p2rank/
protein-ligand-docking,RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]
Organization: rxdock
Home Page: https://rxdock.gitlab.io/
protein-ligand-docking,LigTMap currently supports prediction for 17 protein target classes that include 6000+ protein targets.
User: shirleywisiu
Home Page: https://cbbio.online/LigTMap
protein-ligand-docking,Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"
User: suneelbvs
protein-ligand-docking,We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.
Organization: thinklab-sjtu
protein-ligand-docking,mirror of https://gitlab.com/CaflischLab/SEED
User: unixjunkie
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