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Publications by William Menzer
On Restraints in End-Point Protein-Ligand Binding Free Energy Calculations
Biophysical Journal
Biophysics
Related publications
Absolute Binding Free Energy Calculations: On the Accuracy of Computational Scoring of Protein-Ligand Interactions
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Charmm-Gui Ligand Binder for Relative Binding Free Energy Calculations
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Large Scale Free Energy Calculations for Blind Predictions of Protein–ligand Binding: The D3R Grand Challenge 2015
Journal of Computer-Aided Molecular Design
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Free Energy Perturbation Hamiltonian Replica-Exchange Molecular Dynamics (FEP/H-REMD) for Absolute Ligand Binding Free Energy Calculations
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CHARMM-GUI Ligand Binder for Absolute Binding Free Energy Calculations and Its Application
Journal of Chemical Information and Modeling
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Absolute Binding Free Energy Calculations to Improve the Accuracy of Near-Native Ligand Pose Predictions
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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
Free Energy Calculations of A2A Adenosine Receptor Mutation Effects on Agonist Binding
Chemical Communications
Surfaces
Alloys
Materials Chemistry
Coatings
Metals
Optical
Magnetic Materials
Films
Catalysis
Chemistry
Electronic
Composites
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Binding Free Energy Analysis of Programmed Cell Death Protein PD1 to Its Ligand PD-L1
Biophysical Journal
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