Efficient conformational ensemble generation of protein-bound peptides

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...

Ausführliche Beschreibung

Bibliographische Detailangaben
Hauptverfasser: Yumeng Yan, Di Zhang, Sheng-You Huang
Format: Artikel
Sprache:English
Veröffentlicht: BMC 2017-11-01
Schriftenreihe:Journal of Cheminformatics
Schlagworte:
Conformer generation
Peptide
Molecular docking
Protein–peptide interactions
Conformational sampling
Online Zugang:http://link.springer.com/article/10.1186/s13321-017-0246-7

Online

http://link.springer.com/article/10.1186/s13321-017-0246-7

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