Comparison of hydration behavior and conformational preferences of the Trp-cage mini-protein in different rigid-body water models.

Gupta, Madhulika; Nayar, Divya; Chakravarty, Charusita; Bandyopadhyay, Sanjoy

Gupta, Madhulika; Nayar, Divya; Chakravarty, Charusita; Bandyopadhyay, Sanjoy.

Afiliação

Gupta M; Department of Chemistry, Indian Institute of Technology-Delhi, New Delhi 110016, India.
Nayar D; Department of Chemistry, Indian Institute of Technology-Delhi, New Delhi 110016, India.
Chakravarty C; Department of Chemistry, Indian Institute of Technology-Delhi, New Delhi 110016, India.
Bandyopadhyay S; Molecular Modeling Laboratory, Department of Chemistry, Indian Institute of Technology, Kharagpur 721302, India. sanjoy@chem.iitkgp.ernet.in.

Phys Chem Chem Phys ; 18(48): 32796-32813, 2016 Dec 07.

Article em En | MEDLINE | ID: mdl-27878168

Assuntos

Modelos Químicos; Simulação de Dinâmica Molecular; Peptídeos; Água; Conformação Proteica; Dobramento de Proteína

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Base de dados: MEDLINE Assunto principal: Peptídeos / Água / Simulação de Dinâmica Molecular / Modelos Químicos Idioma: En Ano de publicação: 2016 Tipo de documento: Article

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