Milan Hodošček

Interfacing Q‐Chem and CHARMM to perform QM/MM reaction path calculations

H. Lee Woodcock, Milan Hodošček, Andrew T. B. Gilbert et al. · Journal of Computational Chemistry · 2007 · 209 citations

Replica Path, Chorismate Mutase, Engineering +13

Enzyme mechanisms with hybrid quantum and molecular mechanical potentials. I. Theoretical considerations

Kirsten P. Eurenius, David C. Chatfield, Bernard R. Brooks et al. · International Journal of Quantum Chemistry · 1996 · 189 citations

Molecular Mechanical, Engineering, Hybrid Quantum +18

Computation of Absolute Hydration and Binding Free Energy with Free Energy Perturbation Distributed Replica-Exchange Molecular Dynamics

Wei Jiang, Milan Hodošček · Journal of Chemical Theory and Computation · 2009 · 137 citations

Free Energy, Engineering, Molecular Biology +16

CHARMMing: A New, Flexible Web Portal for CHARMM

Benjamin T. Miller, Rishi P. Singh, Jeffery B. Klauda et al. · Journal of Chemical Information and Modeling · 2008 · 130 citations

Exploring the quantum mechanical/molecular mechanical replica path method: a pathway optimization of the chorismate to prephenate Claisen rearrangement catalyzed by chorismate mutase

H. Lee Woodcock, Milan Hodošček, Paul Sherwood et al. · Theoretical Chemistry Accounts · 2003 · 107 citations

Chorismate Mutase, Engineering, Biochemistry +10