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Publications by J. Andrew McCammon
Potentials of Mean Force for Acetylcholine Unbinding From the Alpha7 Nicotinic Acetylcholine Receptor Ligand-Binding Domain
Journal of the American Chemical Society
Biochemistry
Colloid
Catalysis
Chemistry
Surface Chemistry
Location of Inhibitors Bound to Group IVA Phospholipase A2Determined by Molecular Dynamics and Deuterium Exchange Mass Spectrometry
Journal of the American Chemical Society
Biochemistry
Colloid
Catalysis
Chemistry
Surface Chemistry
Free Energy for the Permeation of Na+and Cl−Ions and Their Ion-Pair Through a Zwitterionic Dimyristoyl Phosphatidylcholine Lipid Bilayer by Umbrella Integration With Harmonic Fourier Beads
Journal of the American Chemical Society
Biochemistry
Colloid
Catalysis
Chemistry
Surface Chemistry
Conformation Gating as a Mechanism for Enzyme Specificity
Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
Ensemble-Based Virtual Screening Reveals Potential Novel Antiviral Compounds for Avian Influenza Neuraminidase
Journal of Medicinal Chemistry
Drug Discovery
Molecular Medicine
The Dynamics of Ligand Barrier Crossing Inside the Acetylcholinesterase Gorge
Biophysical Journal
Biophysics
Lateral Diffusion of Membrane Proteins in the Presence of Static and Dynamic Corrals: Suggestions for Appropriate Observables
Biophysical Journal
Biophysics
Exploring Global Motions and Correlations in the Ribosome
Biophysical Journal
Biophysics
The Entropic Cost of Protein-Protein Association: A Case Study on Acetylcholinesterase Binding to Fasciculin-2
Biophysical Journal
Biophysics
“New-Version-Fast-Multipole-Method” Accelerated Electrostatic Calculations in Biomolecular Systems
Journal of Computational Physics
Numerical Analysis
Applied Mathematics
Simulation
Computer Science Applications
Modeling
Computational Mathematics
Astronomy
Physics
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