Exploring Life Phenomena with Statistical Mechanics of Molecular Liquids

Exploring Life Phenomena with Statistical Mechanics of Molecular Liquids

Hirata, Fumio

Taylor & Francis Ltd

02/2020

312

Dura

Inglês

9781138563889

15 a 20 dias

789

Descrição não disponível.
General Introduction. Fundamentals: Basic Concepts Related to Statistical Mechanics. Statistical Mechanics of Liquid and Solutions. Dynamics of Liquids and Solutions. Theory of Biomolecular Solvation and Molecular Recognition. Structural Fluctuation and Dynamics of Protein in Aqueous Solutions. Applications of the Theories to In-silico Drug Discovery. References. Epilogue.
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American Chemical Society;Binding Free Energy;3D-RISM theories;Formylglycinamide Ribonucleotide Amidotransferase;biomolecular solvation theory;Distribution Function;molecular liquids;Solvation Free Energy;molecular recognition theory;Desolvation Free Energy;statistical mechanics;Sf Region;Pim-1 Kinase;Gaff Force Field;GLE;Main Chain Oxygen;Space Time Correlation Function;Time Correlation Function;Liouville Equation;Canonical Partition Function;Reaction Free Energy;Hydronium Ion;Ensemble Average;Linear Response Theory;PMV;NPT Ensemble;Liouville Operator;Free Energy Profile;M2 Channel;Spatial Distribution Function