EDock: blind protein–ligand docking by replica-exchange monte carlo simulation

EDock: blind protein–ligand docking by replica-exchange monte carlo simulation

Abstract Protein–ligand docking is an important approach for virtual screening and protein function annotation. Although many docking methods have been developed, most require a high-resolution crystal structure of the receptor and a user-specified binding site to start. This information is, however...

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Bibliographic Details
Main Authors: Wenyi Zhang, Eric W. Bell, Minghao Yin, Yang Zhang
Format: Article
Language:English
Published: BMC 2020-05-01
Series:Journal of Cheminformatics
Subjects:
Blind docking
REMC
Low-resolution predicted structure
Online Access:http://link.springer.com/article/10.1186/s13321-020-00440-9

Internet

http://link.springer.com/article/10.1186/s13321-020-00440-9

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