Extending the Martini Coarse-Grained Force Field to <i>N</i>-Glycans.

Shivgan, Aishwary T; Marzinek, Jan K; Huber, Roland G; Krah, Alexander; Henchman, Richard H; Matsudaira, Paul; Verma, Chandra S; Bond, Peter J

Extending the Martini Coarse-Grained Force Field to N-Glycans.

Shivgan, Aishwary T; Marzinek, Jan K; Huber, Roland G; Krah, Alexander; Henchman, Richard H; Matsudaira, Paul; Verma, Chandra S; Bond, Peter J.

Afiliação

Shivgan AT; Department of Biological Sciences, National University of Singapore, 14 Science Drive 4, Singapore 117543.
Marzinek JK; Bioinformatics Institute (A*STAR), 30 Biopolis Street, #07-01 Matrix, Singapore 138671.
Huber RG; Bioinformatics Institute (A*STAR), 30 Biopolis Street, #07-01 Matrix, Singapore 138671.
Krah A; Bioinformatics Institute (A*STAR), 30 Biopolis Street, #07-01 Matrix, Singapore 138671.
Henchman RH; Bioinformatics Institute (A*STAR), 30 Biopolis Street, #07-01 Matrix, Singapore 138671.
Matsudaira P; Manchester Institute of Biotechnology, The University of Manchester, 131 Princess Street, Manchester M1 7DN, United Kingdom.
Verma CS; Department of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL, United Kingdom.
Bond PJ; Department of Biological Sciences, National University of Singapore, 14 Science Drive 4, Singapore 117543.

J Chem Inf Model ; 60(8): 3864-3883, 2020 08 24.

Article em En | MEDLINE | ID: mdl-32702979

Assuntos

Simulação de Dinâmica Molecular; Água; Polissacarídeos; Termodinâmica

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Água / Simulação de Dinâmica Molecular Idioma: En Revista: J Chem Inf Model Assunto da revista: INFORMATICA MEDICA / QUIMICA Ano de publicação: 2020 Tipo de documento: Article

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