Quantum-Dynamical Picture of a Multistep Enzymatic Process: Reaction Catalyzed by Phospholipase A2

Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

Arieh Warshel, Michael Levitt · Journal of Molecular Biology · 1976 · 4.4K citations

Carbonium Ion, Biochemistry, Natural Sciences +5

A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

Martin J. Field, Paul A. Bash, Martin Karplus · Journal of Computational Chemistry · 1990 · 2.5K citations

Engineering, Computational Chemistry, Chemistry +17

An accurate and efficient scheme for propagating the time dependent Schrödinger equation

Hillel Tal‐Ezer, Ronnie Kosloff · The Journal of Chemical Physics · 1984 · 1.5K citations

Numerical Analysis, Engineering, Physics +8

On the Quantum Nature of the Shared Proton in Hydrogen Bonds

Mark E. Tuckerman, Dominik Marx, Michael L. Klein et al. · Science · 1997 · 733 citations

Interfacial Catalysis: the Mechanism of Phospholipase A ₂

David L. Scott, Steven P. White, Zbyszek Otwinowski et al. · Science · 1990 · 697 citations

Proteinlipid Interaction, Biochemistry, Protein Assembly +13