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GWOVina: A grey wolf optimization approach to rigid and flexible receptor docking

Protein–ligand docking programs are indispensable tools for predicting the binding pose of a ligand to the receptor protein. In this paper, we introduce an efficient flexible docking method, gwovina, which is a variant of the Vina implementation using the grey wolf optimizer (GWO) and random walk fo...

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Shranjeno v:
Bibliografske podrobnosti
izdano v:Chem Biol Drug Des
Main Authors: Wong, Kin Meng, Tai, Hio Kuan, Siu, Shirley W. I.
Format: Artigo
Jezik:Inglês
Izdano: John Wiley and Sons Inc. 2020
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC7818481/
https://ncbi.nlm.nih.gov/pubmed/32679606
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1111/cbdd.13764
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