Lista de obras - Hiraku Oshima - Dominio Público Uruguay

A highly efficient hybrid method for calculating the hydration free energy of a protein.

artículo científico publicado en 2015

A theoretical analysis on characteristics of protein structures induced by cold denaturation.

artículo científico publicado en 2009

Binding of an RNA aptamer and a partial peptide of a prion protein: crucial importance of water entropy in molecular recognition

artículo científico publicado en 2014

CHARMM-GUI Free Energy Calculator for Absolute and Relative Ligand Solvation and Binding Free Energy Simulations

artículo científico publicado en 2020

Characterization of experimentally determined native-structure models of a protein using energetic and entropic components of free-energy function

artículo científico publicado en 2012

Crucial importance of the water-entropy effect in predicting hot spots in protein–protein complexes ⬇️

artículo científico publicado el 15 de agosto de 2011

De Novo Prediction of Binders and Nonbinders for T4 Lysozyme by gREST Simulations

artículo científico publicado en 2019

Effects of side-chain packing on the formation of secondary structures in protein folding.

artículo científico publicado en 2010

Effects of sugars on the thermal stability of a protein

artículo científico publicado en 2013

Encounter complexes and hidden poses of kinase-inhibitor binding on the free-energy landscape

scientific article published on 26 August 2019

Essential roles of protein-solvent many-body correlation in solvent-entropy effect on protein folding and denaturation: comparison between hard-sphere solvent and water.

artículo científico publicado en 2015

Free-energy function for discriminating the native fold of a protein from misfolded decoys

artículo científico publicado en 2011

Mechanism of One-to-Many Molecular Recognition Accompanying Target-Dependent Structure Formation: For the Tumor Suppressor p53 Protein as an Example.

artículo científico publicado en 2015

Modified Hamiltonian in FEP Calculations for Reducing the Computational Cost of Electrostatic Interactions

scientific article published in 2022

On the physics of multidrug efflux through a biomolecular complex.

artículo científico publicado en 2013

On the physics of thermal-stability changes upon mutations of a protein.

artículo científico publicado en 2015

Optimized Hydrogen Mass Repartitioning Scheme Combined with Accurate Temperature/Pressure Evaluations for Thermodynamic and Kinetic Properties of Biological Systems

artículo científico publicado en 2021

Population Shift Mechanism for Partial Agonism of AMPA Receptor

artículo científico publicado en 2018

Replica-Exchange Methods for Biomolecular Simulations

artículo científico publicado en 2019

Replica-Exchange Umbrella Sampling Combined with Gaussian Accelerated Molecular Dynamics for Free-Energy Calculation of Biomolecules

scientific article published on 27 September 2019

Statistical Thermodynamics for Actin-Myosin Binding: The Crucial Importance of Hydration Effects

artículo científico publicado en 2016

Statistical thermodynamics for functionally rotating mechanism of the multidrug efflux transporter AcrB.

artículo científico publicado en 2015

Storage capacity and retrieval time of small-world neural networks

artículo científico publicado en 2007

Structural Mechanisms Underlying Activity Changes in an AMPA-type Glutamate Receptor Induced by Substitutions in Its Ligand-Binding Domain

scientific article published on 01 October 2019

Structural stability of proteins in aqueous and nonpolar environments

artículo científico publicado en 2012

Water based on a molecular model behaves like a hard-sphere solvent for a nonpolar solute when the reference interaction site model and related theories are employed.

artículo científico publicado en 2016

Lista de obras de Hiraku Oshima

A highly efficient hybrid method for calculating the hydration free energy of a protein.

A theoretical analysis on characteristics of protein structures induced by cold denaturation.

Binding of an RNA aptamer and a partial peptide of a prion protein: crucial importance of water entropy in molecular recognition

CHARMM-GUI Free Energy Calculator for Absolute and Relative Ligand Solvation and Binding Free Energy Simulations

Characterization of experimentally determined native-structure models of a protein using energetic and entropic components of free-energy function

Crucial importance of the water-entropy effect in predicting hot spots in protein–protein complexes ⬇️

De Novo Prediction of Binders and Nonbinders for T4 Lysozyme by gREST Simulations

Effects of side-chain packing on the formation of secondary structures in protein folding.

Effects of sugars on the thermal stability of a protein

Encounter complexes and hidden poses of kinase-inhibitor binding on the free-energy landscape

Essential roles of protein-solvent many-body correlation in solvent-entropy effect on protein folding and denaturation: comparison between hard-sphere solvent and water.

Free-energy function for discriminating the native fold of a protein from misfolded decoys

Mechanism of One-to-Many Molecular Recognition Accompanying Target-Dependent Structure Formation: For the Tumor Suppressor p53 Protein as an Example.

Modified Hamiltonian in FEP Calculations for Reducing the Computational Cost of Electrostatic Interactions

On the physics of multidrug efflux through a biomolecular complex.

On the physics of thermal-stability changes upon mutations of a protein.

Optimized Hydrogen Mass Repartitioning Scheme Combined with Accurate Temperature/Pressure Evaluations for Thermodynamic and Kinetic Properties of Biological Systems

Population Shift Mechanism for Partial Agonism of AMPA Receptor

Replica-Exchange Methods for Biomolecular Simulations

Replica-Exchange Umbrella Sampling Combined with Gaussian Accelerated Molecular Dynamics for Free-Energy Calculation of Biomolecules

Statistical Thermodynamics for Actin-Myosin Binding: The Crucial Importance of Hydration Effects

Statistical thermodynamics for functionally rotating mechanism of the multidrug efflux transporter AcrB.

Storage capacity and retrieval time of small-world neural networks

Structural Mechanisms Underlying Activity Changes in an AMPA-type Glutamate Receptor Induced by Substitutions in Its Ligand-Binding Domain

Structural stability of proteins in aqueous and nonpolar environments

Water based on a molecular model behaves like a hard-sphere solvent for a nonpolar solute when the reference interaction site model and related theories are employed.