International Symposium on Molecular Science - Physical Chemistry / Theoretical Chemistry, Chemoinformatics, Computational Chemistry - Cosponsored by Japan Society for Molecular Science

[3E1-11] Efficient Exploration of High Dimensional Free Energy Landscapes of Chemical Transformations

21.Keynote Lecture

○Nisanth N., Nair (Indian Inst. of Tech. Kanpur)

Keywords:Free Energy Calculations、Molecular Dynamics、Enhanced Sampling、 Enzymatic Reactions、Ligand Binding

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