Exploring Life Phenomena with Statistical Mechanics of Molecular Liquids
portes grátis
Exploring Life Phenomena with Statistical Mechanics of Molecular Liquids
Hirata, Fumio
Taylor & Francis Ltd
09/2021
300
Mole
Inglês
9781032174549
15 a 20 dias
526
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;Distribution Function;protein, mutants, DNA, biopolymers, ion channel, signal transducer, enzyme;Solvation Free Energy;RISM, 3D-RISM, generalized Langevin theory, linear response theory;Pim-1 Kinase;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;GLE;molecular recognition theory;Main Chain Oxygen;molecular liquids;Space Time Correlation Function;biomolecular solvation theory;Time Correlation Function;statistical mechanics;Liouville Equation;Canonical Partition Function;Formylglycinamide Ribonucleotide Amidotransferase;Hydronium Ion;Gaff Force Field;Reaction Free Energy;Linear Response Theory;Ensemble Average;PMV;NPT Ensemble;Liouville Operator;Spatial Distribution Function;Free Energy Profile;M2 Channel
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;Distribution Function;protein, mutants, DNA, biopolymers, ion channel, signal transducer, enzyme;Solvation Free Energy;RISM, 3D-RISM, generalized Langevin theory, linear response theory;Pim-1 Kinase;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;GLE;molecular recognition theory;Main Chain Oxygen;molecular liquids;Space Time Correlation Function;biomolecular solvation theory;Time Correlation Function;statistical mechanics;Liouville Equation;Canonical Partition Function;Formylglycinamide Ribonucleotide Amidotransferase;Hydronium Ion;Gaff Force Field;Reaction Free Energy;Linear Response Theory;Ensemble Average;PMV;NPT Ensemble;Liouville Operator;Spatial Distribution Function;Free Energy Profile;M2 Channel
