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Publications by K. Vanommeslaeghe
Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges
Journal of Chemical Information and Modeling
Computer Science Applications
Chemistry
Chemical Engineering
Library
Information Sciences
Related publications
Improved Modeling of Halogenated Ligand-Protein Interactions Using the Drude Polarizable Force Field and Additive CHARMM36/CHARMM General Force Field (CGenFF)
Biophysical Journal
Biophysics
Automatic Assignment of Bonded Force Field Parameters for Small Molecules Using Machine Learning
Biophysical Journal
Biophysics
Parametrization of Halogen Bonds in the CHARMM General Force Field
Biophysical Journal
Biophysics
Non-Bonded Force Field Model With Advanced Restrained Electrostatic Potential Charges (RESP2)
Communications Chemistry
Biochemistry
Environmental Chemistry
Materials Chemistry
Chemistry
Systematic Parameterization of Lignin for the Charmm Force Field
Biophysical Journal
Biophysics
CHARMM Force Field Parameters for Simulation of Reactive Intermediates in Native and Thio-Substituted Ribozymes
Journal of Computational Chemistry
Computational Mathematics
Chemistry
Parametrization of Halogen Bonds in the CHARMM General Force Field: Improved Treatment of Ligand–protein Interactions
Bioorganic and Medicinal Chemistry
Organic Chemistry
Molecular Medicine
Molecular Biology
Biochemistry
Clinical Biochemistry
Pharmaceutical Science
Drug Discovery
Probing Charges on the Atomic Scale by Means of Atomic Force Microscopy
Physical Review Letters
Astronomy
Physics
Improved CHARMM Additive Force Field Parameters to Accurately Model Tyrosine-Choline Cation-Π Interactions
Biophysical Journal
Biophysics
