Martin J. Field

All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

Alexander D. MacKerell, Donald Bashford, M. Bellott et al. · The Journal of Physical Chemistry B · 1998 · 14.5K citations

Natural Sciences, Biophysics, Chemistry +17

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

Natural Sciences, Chemistry, Physics +15

A Generalized Hybrid Orbital (GHO) Method for the Treatment of Boundary Atoms in Combined QM/MM Calculations

Jiali Gao, Patricia Amara, Cristóbal Alhambra et al. · The Journal of Physical Chemistry A · 1998 · 496 citations

Natural Sciences, Chemistry, Physics +15

Copper molybdenum sulfide: a new efficient electrocatalyst for hydrogen production from water

Phong D. Tran, Stevin S. Pramana, Anirban Bhattacharjee et al. · Energy & Environmental Science · 2012 · 329 citations

Natural Sciences, Chemical Engineering, Chemistry +17

Free energy perturbation method for chemical reactions in the condensed phase: a dynamic approach based on a combined quantum and molecular mechanics potential

Paul A. Bash, Martin J. Field, Martin Karplus · Journal of the American Chemical Society · 1987 · 319 citations

Natural Sciences, Chemistry, Physics +14