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Publications by Martin A. Olsson
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
Related publications
Predicting Relative Binding Affinity Using Nonequilibrium QM/MM Simulations
Insight Into the Phosphodiesterase Mechanism From Combined QM/MM Free Energy Simulations
FEBS Journal
Biochemistry
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Cope Elimination: Elucidation of Solvent Effects From QM/MM Simulations
QM/MM and MM MD Simulations on the Pyrimidine-Specific Nucleoside Hydrolase: A Comprehensive Understanding Toward Enzymatic Hydrolysis of Uridine
QM/MM MD and Free Energy Simulations of G9a-Like Protein (GLP) and Its Mutants: Understanding the Factors That Determine the Product Specificity
PLoS ONE
Multidisciplinary
The Binding Mode of the Sonic Hedgehog Inhibitor Robotnikinin, a Combined Docking and QM/MM MD Study
Frontiers in Chemistry
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Conformational Free Energies of Metabotropic Glutamate Receptor Ligand-Binding Domains
Biophysical Journal
Biophysics
Accurate Prediction of Protein-Ligand Binding by Combined Molecular Dynamics-Based Docking and QM/MM Methods
Biophysical Journal
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Charmm-Gui Ligand Binder for Relative Binding Free Energy Calculations
Biophysical Journal
Biophysics
