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Drude Polarizable Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids.
Yu, Yalun; Venable, Richard M; Thirman, Jonathan; Chatterjee, Payal; Kumar, Anmol; Pastor, Richard W; Roux, Benoît; MacKerell, Alexander D; Klauda, Jeffery B.
Affiliation
  • Yu Y; Biophysics Graduate Program, University of Maryland, College Park, Maryland 20742, United States.
  • Venable RM; Laboratory of Computational Biology, National Heart, Lung and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, United States.
  • Thirman J; Laboratory of Computational Biology, National Heart, Lung and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, United States.
  • Chatterjee P; Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, Illinois 60637, United States.
  • Kumar A; Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland 21201, United States.
  • Pastor RW; Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland 21201, United States.
  • Roux B; Laboratory of Computational Biology, National Heart, Lung and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, United States.
  • MacKerell AD; Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, Illinois 60637, United States.
  • Klauda JB; Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland 21201, United States.
J Chem Theory Comput ; 19(9): 2590-2605, 2023 May 09.
Article in En | MEDLINE | ID: mdl-37071552
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Water / Molecular Dynamics Simulation Type of study: Guideline / Prognostic_studies Language: En Journal: J Chem Theory Comput Year: 2023 Document type: Article Affiliation country: Country of publication:
Fulltext
Add to My VHL
Print
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PubMed Links
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Water / Molecular Dynamics Simulation Type of study: Guideline / Prognostic_studies Language: En Journal: J Chem Theory Comput Year: 2023 Document type: Article Affiliation country: Country of publication: