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Rare Event Kinetics from Adaptive Bias Enhanced Sampling.
Ray, Dhiman; Ansari, Narjes; Rizzi, Valerio; Invernizzi, Michele; Parrinello, Michele.
Affiliation
  • Ray D; Atomistic Simulations, Italian Institute of Technology, Via Enrico Melen 83, 16152 Genova, Italy.
  • Ansari N; Atomistic Simulations, Italian Institute of Technology, Via Enrico Melen 83, 16152 Genova, Italy.
  • Rizzi V; Atomistic Simulations, Italian Institute of Technology, Via Enrico Melen 83, 16152 Genova, Italy.
  • Invernizzi M; School of Pharmaceutical Sciences and Institute of Pharmaceutical Sciences of Western Switzerland (ISPSO), University of Geneva, Rue Michel Servet 1, 1211 Genève 4, Switzerland.
  • Parrinello M; Freie Universität Berlin, Arnimallee 12, 14195 Berlin, Germany.
J Chem Theory Comput ; 18(11): 6500-6509, 2022 Nov 08.
Article in En | MEDLINE | ID: mdl-36194840
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Dipeptides / Molecular Dynamics Simulation Language: En Journal: J Chem Theory Comput Year: 2022 Document type: Article Affiliation country: Italia Country of publication: Estados Unidos
Fulltext
Add to My VHL
Print
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Dipeptides / Molecular Dynamics Simulation Language: En Journal: J Chem Theory Comput Year: 2022 Document type: Article Affiliation country: Italia Country of publication: Estados Unidos