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Automatic Optimization of Lipid Models in the Martini Force Field Using SwarmCG.
Empereur-Mot, Charly; Pedersen, Kasper B; Capelli, Riccardo; Crippa, Martina; Caruso, Cristina; Perrone, Mattia; Souza, Paulo C T; Marrink, Siewert J; Pavan, Giovanni M.
Afiliación
  • Empereur-Mot C; Department of Innovative Technologies, University of Applied Sciences and Arts of Southern Switzerland, Polo Universitario Lugano, Campus Est, Via la Santa 1, 6962 Lugano-Viganello, Switzerland.
  • Pedersen KB; Department of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark.
  • Capelli R; Department of Biosciences, Università degli Studi di Milano, Via Celoria 26, 20133 Milano, Italy.
  • Crippa M; Politecnico di Torino, Department of Applied Science and Technology, Corso Duca degli Abruzzi 24, 10129 Torino, Italy.
  • Caruso C; Politecnico di Torino, Department of Applied Science and Technology, Corso Duca degli Abruzzi 24, 10129 Torino, Italy.
  • Perrone M; Politecnico di Torino, Department of Applied Science and Technology, Corso Duca degli Abruzzi 24, 10129 Torino, Italy.
  • Souza PCT; Molecular Microbiology and Structural Biochemistry (MMSB, UMR 5086), CNRS & University of Lyon, 7 Passage du Vercors, 69007 Lyon, France.
  • Marrink SJ; Molecular Dynamics, Groningen Biomolecular Sciences and Biotechnology Institute (GBB), University of Groningen, Nijenborgh 7, 9747 AG Groningen, The Netherlands.
  • Pavan GM; Department of Innovative Technologies, University of Applied Sciences and Arts of Southern Switzerland, Polo Universitario Lugano, Campus Est, Via la Santa 1, 6962 Lugano-Viganello, Switzerland.
J Chem Inf Model ; 63(12): 3827-3838, 2023 06 26.
Article en En | MEDLINE | ID: mdl-37279107
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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Fosfatidilcolinas / Membrana Dobles de Lípidos Idioma: En Revista: J Chem Inf Model Asunto de la revista: INFORMATICA MEDICA / QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: Suiza
Texto completo
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Fosfatidilcolinas / Membrana Dobles de Lípidos Idioma: En Revista: J Chem Inf Model Asunto de la revista: INFORMATICA MEDICA / QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: Suiza