More than a look into a crystal ball: protein structure elucidation guided by molecular dynamics simulations

[Display omitted] •Considering conformational flexibility improves structure-based drug design.•Computational simulations provide mechanistic insights in biological processes.•Enhanced sampling algorithms allow the investigation of large biological systems.•Molecular dynamics simulations enable mech...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Drug discovery today 2016-11, Vol.21 (11), p.1799-1805
Hauptverfasser:	Bermudez, Marcel, Mortier, Jeremie, Rakers, Christin, Sydow, Dominique, Wolber, Gerhard
Format:	Artikel
Sprache:	eng
Schlagworte:	Humans Molecular Dynamics Simulation Protein Conformation Protein Folding Proteins - chemistry Proteins - metabolism
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!