Kenno Vanommeslaeghe

According to our database, Kenno Vanommeslaeghe authored at least 6 papers between 2010 and 2016.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2016

Additive CHARMM force field for naturally occurring modified ribonucleotides.

You Xu, Kenno Vanommeslaeghe, Alexey Aleksandrov, Alexander D. MacKerell Jr., Lennart Nilsson

J. Comput. Chem., 2016

2015

Robustness in the fitting of molecular mechanics parameters.

Kenno Vanommeslaeghe, Mingjun Yang, Alexander D. MacKerell Jr.

J. Comput. Chem., 2015

2012

Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges.

Kenno Vanommeslaeghe, E. Prabhu Raman, Alexander D. MacKerell Jr.

J. Chem. Inf. Model., 2012

Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing.

Kenno Vanommeslaeghe, Alexander D. MacKerell Jr.

J. Chem. Inf. Model., 2012

Extension of the CHARMM general force field to sulfonyl-containing compounds and its utility in biomolecular simulations.

Wenbo Yu, Xibing He, Kenno Vanommeslaeghe, Alexander D. MacKerell Jr.

J. Comput. Chem., 2012

2010

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, Chayan Acharya, Sibsankar Kundu, Shijun Zhong, Jihyun Shim, Eva Darian, Olgun Guvench, Pedro E. M. Lopes, Igor Vorobyov, Alexander D. MacKerell Jr.

J. Comput. Chem., 2010