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Publications by Nanjie Deng
Large Scale Free Energy Calculations for Blind Predictions of Protein–ligand Binding: The D3R Grand Challenge 2015
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
Related publications
Blinded Predictions of Binding Modes and Energies of HSP90-α Ligands for the 2015 D3R Grand Challenge
Bioorganic and Medicinal Chemistry
Organic Chemistry
Molecular Medicine
Molecular Biology
Biochemistry
Clinical Biochemistry
Pharmaceutical Science
Drug Discovery
Absolute Binding Free Energy Calculations to Improve the Accuracy of Near-Native Ligand Pose Predictions
Biophysical Journal
Biophysics
On Restraints in End-Point Protein-Ligand Binding Free Energy Calculations
Biophysical Journal
Biophysics
Charmm-Gui Ligand Binder for Relative Binding Free Energy Calculations
Biophysical Journal
Biophysics
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
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
Free Energy Perturbation Hamiltonian Replica-Exchange Molecular Dynamics (FEP/H-REMD) for Absolute Ligand Binding Free Energy Calculations
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Comparison of Ligand Affinity Ranking Using AutoDock-GPU and MM-GBSA Scores in the D3R Grand Challenge 4
Blind Predictions of RNA/Protein Relative Binding Affinities
Biophysical Journal
Biophysics
