Automatic Optimization of Lipid Models in the Martini Force Field Using <i>SwarmCG</i>-Reference-Cited by-同舟云学术

Automatic Optimization of Lipid Models in the Martini Force Field Using SwarmCG

Published:2023-06-06 Issue:12 Volume:63 Page:3827-3838
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Empereur-mot Charly¹^ORCID,Pedersen Kasper B.²,Capelli Riccardo³^ORCID,Crippa Martina⁴^ORCID,Caruso Cristina⁴,Perrone Mattia⁴,Souza Paulo C. T.⁵^ORCID,Marrink Siewert J.⁶^ORCID,Pavan Giovanni M.¹⁴^ORCID

Affiliation:

1. 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

2. Department of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark

3. Department of Biosciences, Università degli Studi di Milano, Via Celoria 26, 20133 Milano, Italy

4. Politecnico di Torino, Department of Applied Science and Technology, Corso Duca degli Abruzzi 24, 10129 Torino, Italy

5. Molecular Microbiology and Structural Biochemistry (MMSB, UMR 5086), CNRS & University of Lyon, 7 Passage du Vercors, 69007 Lyon, France

6. Molecular Dynamics, Groningen Biomolecular Sciences and Biotechnology Institute (GBB), University of Groningen, Nijenborgh 7, 9747 AG Groningen, The Netherlands

Funder

Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung

Teknologi og Produktion, Det Frie Forskningsr?d

Novo Nordisk Fonden

H2020 Future and Emerging Technologies

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00530