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

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, not ava...

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Foilsithe in:J Cheminform
Main Authors: Zhang, Wenyi, Bell, Eric W., Yin, Minghao, Zhang, Yang
Formáid: Artigo
Teanga:Inglês
Foilsithe: Springer International Publishing 2020
Ábhair:
Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC7251717/
https://ncbi.nlm.nih.gov/pubmed/33430966
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-020-00440-9
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