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Publications by Yongmei Pan
Free Energy Perturbation Simulation on Transition States and High-Activity Mutants of Human Butyrylcholinesterase for (−)-Cocaine Hydrolysis
Journal of Physical Chemistry B
Surfaces
Theoretical Chemistry
Materials Chemistry
Films
Medicine
Coatings
Physical
Related publications
Molecular Dynamics Simulation of Cocaine Binding With Human Butyrylcholinesterase and Its Mutants
Journal of Physical Chemistry B
Surfaces
Theoretical Chemistry
Materials Chemistry
Films
Medicine
Coatings
Physical
Design of High-Activity Mutants of Human Butyrylcholinesterase Against (−)-Cocaine: Structural and Energetic Factors Affecting the Catalytic Efficiency
Biochemistry
Biochemistry
Preparation Andin Vivocharacterization of a Cocaine Hydrolase Engineered From Human Butyrylcholinesterase for Metabolizing Cocaine
Biochemical Journal
Biochemistry
Cell Biology
Molecular Biology
Robust Free Energy Perturbation Protocols for Creating Molecules in Solution
Solvent-Free Enzyme Activity: Quick, High-Yielding Mechano-Enzymatic Hydrolysis of Cellulose Into Glucose
Angewandte Chemie - International Edition
Catalysis
Chemistry
Most Efficient Cocaine Hydrolase Designed by Virtual Screening of Transition States
Journal of the American Chemical Society
Biochemistry
Colloid
Catalysis
Chemistry
Surface Chemistry
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
Determination of Partial Molar Volumes From Free Energy Perturbation Theory
Physical Chemistry Chemical Physics
Theoretical Chemistry
Astronomy
Physics
Physical
Free Energy Diagram for the Heterogeneous Enzymatic Hydrolysis of Glycosidic Bonds in Cellulose
Journal of Biological Chemistry
Biochemistry
Cell Biology
Molecular Biology
