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Adaptive Multilevel Splitting Method for Molecular Dynamics Calculation of Benzamidine-Trypsin Dissociation Time.
Teo, Ivan; Mayne, Christopher G; Schulten, Klaus; Lelièvre, Tony.
Affiliation
  • Teo I; Beckman Institute for Advanced Science and Technology , 405 North Mathews Avenue, Urbana, Illinois, 61801 United States.
  • Mayne CG; Department of Physics, University of Illinois at Urbana-Champaign , Urbana, Illinois 61801, United States.
  • Schulten K; Beckman Institute for Advanced Science and Technology , 405 North Mathews Avenue, Urbana, Illinois, 61801 United States.
  • Lelièvre T; Beckman Institute for Advanced Science and Technology , 405 North Mathews Avenue, Urbana, Illinois, 61801 United States.
J Chem Theory Comput ; 12(6): 2983-9, 2016 Jun 14.
Article in En | MEDLINE | ID: mdl-27159059
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Benzamidines / Trypsin / Molecular Dynamics Simulation Type of study: Health_economic_evaluation Language: En Journal: J Chem Theory Comput Year: 2016 Document type: Article Country of publication: United States
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Benzamidines / Trypsin / Molecular Dynamics Simulation Type of study: Health_economic_evaluation Language: En Journal: J Chem Theory Comput Year: 2016 Document type: Article Country of publication: United States