Kenno Vanommeslaeghe

Publication Activity (10 Years)

Years Active: 2010-2016
Publications (10 Years): 2

Top Topics

Maximum Likelihood Estimation

Input Parameters

Active Contour Model

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

You Xu, Kenno Vanommeslaeghe, Alexey Aleksandrov, Alexander D. MacKerell Jr., Lennart Nilsson
Additive CHARMM force field for naturally occurring modified ribonucleotides. J. Comput. Chem. 37 (10) (2016)
Kenno Vanommeslaeghe, Mingjun Yang, Alexander D. MacKerell Jr.
Robustness in the fitting of molecular mechanics parameters. J. Comput. Chem. 36 (14) (2015)
Wenbo Yu, Xibing He, Kenno Vanommeslaeghe, Alexander D. MacKerell Jr.
Extension of the CHARMM general force field to sulfonyl-containing compounds and its utility in biomolecular simulations. J. Comput. Chem. 33 (31) (2012)
Kenno Vanommeslaeghe, E. Prabhu Raman, Alexander D. MacKerell Jr.
Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges. J. Chem. Inf. Model. 52 (12) (2012)
Kenno Vanommeslaeghe, Alexander D. MacKerell Jr.
Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing. J. Chem. Inf. Model. 52 (12) (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)