Highly sampled tetranucleotide and tetraloop motifs enable evaluation of common RNA force fields.

Bergonzo, Christina; Henriksen, Niel M; Roe, Daniel R; Cheatham, Thomas E

Bergonzo, Christina; Henriksen, Niel M; Roe, Daniel R; Cheatham, Thomas E.

Afiliação

Bergonzo C; Department of Medicinal Chemistry, College of Pharmacy, L.S. Skaggs Pharmacy Research Institute, University of Utah, Salt Lake City, Utah 84112, USA.
Henriksen NM; Department of Medicinal Chemistry, College of Pharmacy, L.S. Skaggs Pharmacy Research Institute, University of Utah, Salt Lake City, Utah 84112, USA.
Roe DR; Department of Medicinal Chemistry, College of Pharmacy, L.S. Skaggs Pharmacy Research Institute, University of Utah, Salt Lake City, Utah 84112, USA.
Cheatham TE; Department of Medicinal Chemistry, College of Pharmacy, L.S. Skaggs Pharmacy Research Institute, University of Utah, Salt Lake City, Utah 84112, USA.

RNA ; 21(9): 1578-90, 2015 Sep.

Article em En | MEDLINE | ID: mdl-26124199

Assuntos

Biologia Computacional/métodos; RNA/química; Espectroscopia de Ressonância Magnética; Simulação de Dinâmica Molecular; Conformação de Ácido Nucleico; Motivos de Nucleotídeos; Termodinâmica

Palavras-chave

AMBER; CHARMM; RNA; enhanced sampling; force fields; molecular dynamics; replica exchange

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: RNA / Biologia Computacional Idioma: En Ano de publicação: 2015 Tipo de documento: Article País de afiliação: Estados Unidos

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