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Publications by Yosuke Masuda
Gibbs Free Energy of Hydrolytic Water Molecule in Acyl-Enzyme Intermediates of a Serine Protease: A Potential Application for Computer-Aided Discovery of Mechanism-Based Reversible Covalent Inhibitors
Chemical and Pharmaceutical Bulletin
Medicine
Drug Discovery
Chemistry
Linear Discriminant Analysis for the in Silico Discovery of Mechanism-Based Reversible Covalent Inhibitors of a Serine Protease: Application of Hydration Thermodynamics Analysis and Semi-Empirical Molecular Orbital Calculation
Chemical and Pharmaceutical Bulletin
Medicine
Drug Discovery
Chemistry
Related publications
Can Relative Binding Free Energy Predict Selectivity of Reversible Covalent Inhibitors?
Journal of the American Chemical Society
Biochemistry
Colloid
Catalysis
Chemistry
Surface Chemistry
Electrophilic Fragment-Based Design of Reversible Covalent Kinase Inhibitors
Journal of the American Chemical Society
Biochemistry
Colloid
Catalysis
Chemistry
Surface Chemistry
Serine Protease Inhibitors
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
Plant Serine Protease Inhibitors: Biotechnology Application in Agriculture and Molecular Farming
International Journal of Molecular Sciences
Organic Chemistry
Molecular Biology
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Spectroscopy
Medicine
Catalysis
Physical
Semisynthetic Nanoreactor for Reversible Single-Molecule Covalent Chemistry
Identification and Biochemical Characterization of Small-Molecule Inhibitors of West Nile Virus Serine Protease by a High-Throughput Screen
Antimicrobial Agents and Chemotherapy
Infectious Diseases
Pharmacology
Dissecting a Novel Allosteric Mechanism of Cruzain: A Computer-Aided Approach
PLoS ONE
Multidisciplinary
