Efficient conformational ensemble generation of protein-bound peptides

Abstract Conformation generation of protein-bound peptides is critical for the determination of protein–peptide complex structures. Despite significant progress in conformer generation of small molecules, few methods have been developed for modeling protein-bound peptide conformations. Here, we have...

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Hlavní autoři:	Yumeng Yan, Di Zhang, Sheng-You Huang
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	BMC 2017-11-01
Edice:	Journal of Cheminformatics
Témata:	Conformer generation Peptide Molecular docking Protein–peptide interactions Conformational sampling
On-line přístup:	http://link.springer.com/article/10.1186/s13321-017-0246-7
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