Pedro E. M. Lopes

CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields

Kenno Vanommeslaeghe, Elizabeth Hatcher, Chitrangada Acharya et al. · Journal of Computational Chemistry · 2009 · 7.5K citations · Full text

Natural Sciences, Biophysics, Medicinal Chemistry +17

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ₁ and χ₂ Dihedral Angles

Robert B. Best, Xiao Zhu, Jihyun Shim et al. · Journal of Chemical Theory and Computation · 2012 · 4.8K citations

Life Sciences, Biochemistry, Biophysics +17

Polarizable Force Field for Peptides and Proteins Based on the Classical Drude Oscillator

Pedro E. M. Lopes, Jing Huang, Jihyun Shim et al. · Journal of Chemical Theory and Computation · 2013 · 394 citations

Natural Sciences, Biochemistry, Biophysics +17

Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability: theory and applications

Pedro E. M. Lopes, Alexander D. MacKerell · Theoretical Chemistry Accounts · 2009 · 339 citations · Full text

Natural Sciences, Chemistry, Physics +17

Recent developments and applications of the CHARMM force fields

Xiao Zhu, Pedro E. M. Lopes, Alexander D. MacKerell · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 266 citations · Full text

Natural Sciences, Chemistry, Physics +17