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BRIDGE: An Open Platform for Reproducible Protein-Ligand Simulations and Free Energy of Binding Calculations

Protein-ligand binding prediction is central to the drug-discovery process. This often follows an analysis of genomics data for protein targets and then protei n structure discovery. However, the complexity of performing reproducible protein conformational analysis and ligand binding calculations, u...

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Bibliografiske detaljer
Udgivet i:Bio Protoc
Main Authors: Senapathi, Tharindu, Barnett, Christopher B., Naidoo, Kevin J.
Format: Artigo
Sprog:Inglês
Udgivet: Bio-Protocol 2020
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7842724/
https://ncbi.nlm.nih.gov/pubmed/33659392
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.21769/BioProtoc.3731
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