Exploring Life Phenomena with Statistical Mechanics of Molecular Liquids
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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.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
American Chemical Society;Binding Free Energy;water, aqueous solutions, electrolyte solutions;Formylglycinamide Ribonucleotide Amidotransferase;protein, mutants, DNA, biopolymers, ion channel, signal transducer, enzyme;Distribution Function;RISM, 3D-RISM, generalized Langevin theory, linear response theory;Solvation Free Energy;molecular recognition, hydration, solvation, desolvation, free energy, chemical potential, partial molar volume, fluctuation, dynamics, binding affinity;Desolvation Free Energy;In-silico drug design, computer-aided drug design, pharmaceutical drug design, WaterMap, SolutionMap, drug discovery;Sf Region;3D-RISM theories;Pim-1 Kinase;molecular recognition theory;Gaff Force Field;molecular liquids;GLE;biomolecular solvation theory;Main Chain Oxygen;statistical mechanics;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
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.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
American Chemical Society;Binding Free Energy;water, aqueous solutions, electrolyte solutions;Formylglycinamide Ribonucleotide Amidotransferase;protein, mutants, DNA, biopolymers, ion channel, signal transducer, enzyme;Distribution Function;RISM, 3D-RISM, generalized Langevin theory, linear response theory;Solvation Free Energy;molecular recognition, hydration, solvation, desolvation, free energy, chemical potential, partial molar volume, fluctuation, dynamics, binding affinity;Desolvation Free Energy;In-silico drug design, computer-aided drug design, pharmaceutical drug design, WaterMap, SolutionMap, drug discovery;Sf Region;3D-RISM theories;Pim-1 Kinase;molecular recognition theory;Gaff Force Field;molecular liquids;GLE;biomolecular solvation theory;Main Chain Oxygen;statistical mechanics;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
