Assessment of transferable forcefields for protein simulations attests improved description of disordered states and secondary structure propensities, and hints at multi-protein systems as the next challenge for optimization.

Abriata, Luciano A; Dal Peraro, Matteo

Abriata, Luciano A; Dal Peraro, Matteo.

Afiliação

Abriata LA; Institute of Bioengineering, School of Life Sciences, École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland.
Dal Peraro M; Protein Production and Structure Core Facility, School of Life Sciences, École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland.

Comput Struct Biotechnol J ; 19: 2626-2636, 2021.

Article em En | MEDLINE | ID: mdl-34025949

Palavras-chave

Aggregation; Amber; Charmm; Force fields; Molecular dynamics; Molecular simulations; Peptide; Protein; Protein dynamics; Simulation; Solubility; Water simulation

Texto completo

Adicionar na Minha BVS

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: Comput Struct Biotechnol J Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Suíça

Texto completo

Adicionar na Minha BVS

Imprimir

XML

PubMed Links

Buscar no Google