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Predicting hydrophobic solvation by molecular simulation: 1. Testing united-atom alkane models.
Jorge, Miguel; Garrido, Nuno M; Simões, Carlos J V; Silva, Cândida G; Brito, Rui M M.
Afiliação
  • Jorge M; Department of Chemical and Process Engineering, University of Strathclyde, 75 Montrose Street, Glasgow, G1 1XJ, United Kingdom.
  • Garrido NM; LSRE - Laboratory of Separation and Reaction Engineering - Associate Laboratory LSRE/LCM, Faculdade de Engenharia, Universidade do Porto, Rua Dr. Roberto Frias, Porto, 4200-465, Portugal.
  • Simões CJ; Chemistry Department and Coimbra Chemistry Centre, Faculty of Science and Technology, University of Coimbra, Coimbra, 3004-535, Portugal.
  • Silva CG; BSIM2 - Drug Discovery, Parque Tecnológico de Cantanhede, Cantanhede, 3060-197, Portugal.
  • Brito RM; Chemistry Department and Coimbra Chemistry Centre, Faculty of Science and Technology, University of Coimbra, Coimbra, 3004-535, Portugal.
J Comput Chem ; 38(6): 346-358, 2017 03 05.
Article em En | MEDLINE | ID: mdl-28032384
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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2017 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2017 Tipo de documento: Article