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Publications by Kevin J. Naidoo
AM1/d-CB1: A Semiempirical Model for QM/MM Simulations of Chemical Glycobiology Systems
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Related publications
Predicting Relative Binding Affinity Using Nonequilibrium QM/MM Simulations
Cope Elimination: Elucidation of Solvent Effects From QM/MM Simulations
A QM/MM and QM/QM/MM Study of Kerr, Cotton–Mouton and Jones Linear Birefringences in Liquid Acetonitrile
Physical Chemistry Chemical Physics
Theoretical Chemistry
Astronomy
Physics
Physical
Medium Effects on the Decarboxylation of a Biotin Model in Pure and Mixed Solvents From QM/MM Simulations
QM/MM Simulations of Organic Phosphorus Adsorption at the Diaspore-Water Interface
QM/MM Simulations of Organic Phosphorus Adsorption at the Diaspore-Water Interface
Complete Reaction Mechanism of Indoleamine 2,3-Dioxygenase as Revealed by QM/MM Simulations
Journal of Physical Chemistry B
Surfaces
Theoretical Chemistry
Materials Chemistry
Films
Medicine
Coatings
Physical
Insight Into the Phosphodiesterase Mechanism From Combined QM/MM Free Energy Simulations
FEBS Journal
Biochemistry
Cell Biology
Molecular Biology
QM/MM and MM MD Simulations on the Pyrimidine-Specific Nucleoside Hydrolase: A Comprehensive Understanding Toward Enzymatic Hydrolysis of Uridine
