Pedro E. M. Lopes

Publication Activity (10 Years)

Years Active: 2009-2018
Publications (10 Years): 1

Top Topics

Protein Folding

Molecular Dynamics

Top Venues

J. Chem. Inf. Model.

PLoS Comput. Biol.

Publications

Fang-Yu Lin, Pedro E. M. Lopes, Edward Harder, Benoît Roux, Alexander D. MacKerell Jr.
Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator. J. Chem. Inf. Model. 58 (5) (2018)
Meagan C. Small, Pedro E. M. Lopes, Rodrigo B. Andrade, Alexander D. MacKerell Jr.
Impact of Ribosomal Modification on the Binding of the Antibiotic Telithromycin Using a Combined Grand Canonical Monte Carlo/Molecular Dynamics Simulation Approach. PLoS Comput. Biol. 9 (6) (2013)
Xiao Zhu, Pedro E. M. Lopes, Jihyun Shim, Alexander D. MacKerell Jr.
Intrinsic Energy Landscapes of Amino Acid Side-Chains. J. Chem. Inf. Model. 52 (6) (2012)
Xiao Zhu, Pedro E. M. Lopes, Jihyun Shim, Alexander D. MacKerell Jr.
Correction to Intrinsic Energy Landscapes of Amino Acid Side-Chains. J. Chem. Inf. Model. 52 (8) (2012)
Kenno Vanommeslaeghe, Elizabeth Hatcher, Chayan Acharya, Sibsankar Kundu, Shijun Zhong, Jihyun Shim, Eva Darian, Olgun Guvench, Pedro E. M. Lopes, Igor Vorobyov, Alexander D. MacKerell Jr.
CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields. J. Comput. Chem. 31 (4) (2010)
Pedro E. M. Lopes, Guillaume Lamoureux, Alexander D. MacKerell Jr.
Polarizable empirical force field for nitrogen-containing heteroaromatic compounds based on the classical Drude oscillator. J. Comput. Chem. 30 (12) (2009)