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Variational implicit-solvent predictions of the dry-wet transition pathways for ligand-receptor binding and unbinding kinetics.
Zhou, Shenggao; Weiß, R Gregor; Cheng, Li-Tien; Dzubiella, Joachim; McCammon, J Andrew; Li, Bo.
Affiliation
  • Zhou S; Department of Mathematics, Soochow University, Suzhou 215006, Jiangsu, China.
  • Weiß RG; Mathematical Center for Interdiscipline Research, Soochow University, Suzhou 215006, Jiangsu, China.
  • Cheng LT; Laboratory of Physical Chemistry, Eidgenössische Technische Hochschule Zürich, CH-8093 Zürich, Switzerland.
  • Dzubiella J; Institut für Physik, Humboldt-Universität zu Berlin, D-12489 Berlin, Germany.
  • McCammon JA; Department of Mathematics, University of California San Diego, La Jolla, CA 92093-0112.
  • Li B; Physikalisches Institut, Albert-Ludwigs-Universität Freiburg, 79104 Freiburg, Germany.
Proc Natl Acad Sci U S A ; 116(30): 14989-14994, 2019 07 23.
Article in En | MEDLINE | ID: mdl-31270236
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Protein Conformation / Molecular Dynamics Simulation / Molecular Docking Simulation Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: Proc Natl Acad Sci U S A Year: 2019 Document type: Article Affiliation country: China Country of publication: United States
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Protein Conformation / Molecular Dynamics Simulation / Molecular Docking Simulation Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: Proc Natl Acad Sci U S A Year: 2019 Document type: Article Affiliation country: China Country of publication: United States