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On the importance of accounting for nuclear quantum effects in ab initio calibrated force fields in biological simulations.
Pereyaslavets, Leonid; Kurnikov, Igor; Kamath, Ganesh; Butin, Oleg; Illarionov, Alexey; Leontyev, Igor; Olevanov, Michael; Levitt, Michael; Kornberg, Roger D; Fain, Boris.
Affiliation
  • Pereyaslavets L; InterX Inc., Berkeley, CA 94710; leonid.pereyaslavets@interxinc.com michael.levitt@stanford.edu.
  • Kurnikov I; InterX Inc., Berkeley, CA 94710.
  • Kamath G; InterX Inc., Berkeley, CA 94710.
  • Butin O; InterX Inc., Berkeley, CA 94710.
  • Illarionov A; InterX Inc., Berkeley, CA 94710.
  • Leontyev I; InterX Inc., Berkeley, CA 94710.
  • Olevanov M; InterX Inc., Berkeley, CA 94710.
  • Levitt M; Department of Structural Biology, Stanford University School of Medicine, Stanford, CA 94305 leonid.pereyaslavets@interxinc.com michael.levitt@stanford.edu.
  • Kornberg RD; Department of Structural Biology, Stanford University School of Medicine, Stanford, CA 94305.
  • Fain B; InterX Inc., Berkeley, CA 94710.
Proc Natl Acad Sci U S A ; 115(36): 8878-8882, 2018 09 04.
Article in En | MEDLINE | ID: mdl-30127031
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Quantum Theory / Models, Biological Language: En Journal: Proc Natl Acad Sci U S A Year: 2018 Document type: Article
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Quantum Theory / Models, Biological Language: En Journal: Proc Natl Acad Sci U S A Year: 2018 Document type: Article