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Publications by Maturos Malaisree
A Water-Swap Reaction Coordinate for the Calculation of Absolute Protein–ligand Binding Free Energies
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Related publications
Calculation of Protein-Protein Binding Free Energies Using Umbrella Sampling With Dual Resolution Water Models
Biophysical Journal
Biophysics
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
Fast Calculation of Protein-Protein Binding Free Energies Using Umbrella Sampling With a Coarse-Grained Model
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Absolute Binding Free Energy Calculations: On the Accuracy of Computational Scoring of Protein-Ligand Interactions
Proteins: Structure, Function and Genetics
Biochemistry
Structural Biology
Molecular Biology
Conformational Free Energies of Metabotropic Glutamate Receptor Ligand-Binding Domains
Biophysical Journal
Biophysics
CHARMM-GUI Ligand Binder for Absolute Binding Free Energy Calculations and Its Application
Journal of Chemical Information and Modeling
Computer Science Applications
Chemistry
Chemical Engineering
Library
Information Sciences
A Molecular Mechanical Calculation Along the Intrinsic Reaction Coordinate
Bulletin of the Chemical Society of Japan
Chemistry
Fast Calculation of ProteinProtein Binding Free Energies Using Umbrella Sampling With a Coarse-Grained Model
Relative Ligand-Binding Free Energies Calculated From Multiple Short QM/MM MD Simulations
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
