Carbohydrate Force Fields: The Role of Small Partial Atomic Charges in Preventing Conformational Collapse.

Lazar, Ryan D; Akher, Farideh B; Ravenscroft, Neil; Kuttel, Michelle M.

Lazar RD; Department of Computer Science, University of Cape Town, Rondebosch, Cape Town 7701, South Africa.
Akher FB; Department of Computer Science, University of Cape Town, Rondebosch, Cape Town 7701, South Africa.
Ravenscroft N; Department of Chemistry, University of Cape Town, Rondebosch, Cape Town 7701, South Africa.
Kuttel MM; Department of Computer Science, University of Cape Town, Rondebosch, Cape Town 7701, South Africa.

J Chem Theory Comput ; 18(2): 1156-1172, 2022 Feb 08.

Article en En | MEDLINE | ID: mdl-35015958

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Año: 2022 Tipo del documento: Article

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Año: 2022 Tipo del documento: Article