Topic: ligand-screening Goto Github
Some thing interesting about ligand-screening
Some thing interesting about ligand-screening
ligand-screening,A quick and dirty virtual screening task for potential ligands of Flavobacterium johnsoniae Tyrosine Ammonia Lyase (FjTAL)
User: amirreza-mousavi
ligand-screening,Python program to run several PELE simulations in a very authomaticall way
User: carlesperez94
ligand-screening,:large_blue_diamond: MX pipeline. Refinement and ligand screening.
Organization: ccp4
Home Page: http://ccp4.github.io/dimple/
ligand-screening,Code for an artificial neural net classifier of small molecule GPCR activity
User: jrem-chem
ligand-screening,Flexible Artificial Intelligence Docking
User: lmorency
Home Page: http://biophys.umontreal.ca/nrg/resources.html
ligand-screening,Computational Drug Screening Platform
User: luqmanzaceria
ligand-screening,Developed as part of the Lawrence Livermore National Laboratory Data Science Summer Institute 2022 Challenge Problem. Screening molecular inhibitors for SARS-CoV-2 protein targets with Deep Learning Models.
User: marinadunn
ligand-screening,Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
Organization: mobleylab
ligand-screening,Flexible Artificial Intelligence Docking
Organization: nrglab
Home Page: http://biophys.umontreal.ca/nrg
ligand-screening,screenlamp is a Python toolkit for hypothesis-driven virtual screening
User: rasbt
Home Page: https://psa-lab.github.io/screenlamp
ligand-screening,To identify the lowest (relatively) energy docking sites for a particular ligand using one-dimensional search.
User: rchirravurivenkata
ligand-screening,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/
ligand-screening,Web service for scoring protein-ligand complexes
Organization: salilab
Home Page: https://salilab.org/ligscore/
ligand-screening,Project in the Durrant Lab at UPitt that wanted to re-use code from a previous neural network ligand-protein interaction software to extract features for ML
User: yogionbioinformatics
Home Page: https://pubs.acs.org/doi/10.1021/ci2003889
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