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Publications by Yasushi Tojo
Prediction of Potency of Protease Inhibitors Using Free Energy Simulations With Polarizable Quantum Mechanics-Based Ligand Charges and a Hybrid Water Model
Journal of Chemical Information and Modeling
Computer Science Applications
Chemistry
Chemical Engineering
Library
Information Sciences
Related publications
Calculation of Protein-Ligand Binding Free Energy by Using a Polarizable Potential
Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
Comparison of Polarizable Continuum & Quantum Mechanics/Molecular Mechanics Models With Series of Tripeptides (AXA)
Biophysical Journal
Biophysics
Quantum Mechanics/Molecular Mechanics Free Energy Maps and Nonadiabatic Simulations for a Photochemical Reaction in DNA: Cyclobutane Thymine Dimer
Comparison of Polarizable Continuum Model and Quantum Mechanics/Molecular Mechanics Solute Electronic Polarization: Study of the Optical and Magnetic Properties of Diazines in Water
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Reconciling NMR Structures of the HIV-1 Nucleocapsid Protein (NCp7) Using Extensive Polarizable Force Field Free-Energy Simulations
Water Properties From First Principles: Simulations by a General-Purpose Quantum Mechanical Polarizable Force Field
Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
Analysis of Protease Activity Using Quantum Dots and Resonance Energy Transfer
Theranostics
Medicine
Toxicology
Pharmaceutics
Pharmacology
Deep Belief Network Based Hybrid Model for Building Energy Consumption Prediction
Energies
Control
Electronic Engineering
Energy Engineering
Renewable Energy
Energy
Fuel Technology
Sustainability
Optimization
Electrical
Power Technology
the Environment
Impressive Enrichment of Semiempirical Quantum Mechanics‐Based Scoring Function: HSP90 Protein With 4541 Inhibitors and Decoys
ChemPhysChem
Theoretical Chemistry
Physical
Optics
Atomic
Molecular Physics,
