EnGens: a computational framework for generation and analysis of representative protein conformational ensembles

Abstract Proteins are dynamic macromolecules that perform vital functions in cells. A protein structure determines its function, but this structure is not static, as proteins change their conformation to achieve various functions. Understanding the conformational landscapes of proteins is essential...

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Veröffentlicht in:	Briefings in bioinformatics 2023-07, Vol.24 (4)
Hauptverfasser:	Conev, Anja, Rigo, Mauricio Menegatti, Devaurs, Didier, Fonseca, André Faustino, Kalavadwala, Hussain, de Freitas, Martiela Vaz, Clementi, Cecilia, Zanatta, Geancarlo, Antunes, Dinler Amaral, Kavraki, Lydia E
Format:	Artikel
Sprache:	eng
Schlagworte:	Computer applications Datasets Molecular Dynamics Simulation Problem Solving Protocol Protein Conformation Protein structure Proteins Proteins - chemistry Structure-function relationships
Online-Zugang:	Volltext
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