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Kenno Vanommeslaeghe

Showing results (1-10 of 30) with videos related to

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Biophysical Journal|July 24, 2025
Collagen as a stress test and a tool for improvement of glycine and proline conformations in biomolecular force fieldsKenno Vanommeslaeghe
Journal of Chemical Theory and Computation|July 22, 2024
A Simple Model for the Pauli Repulsion with Possible Utility in QM, MM and Chemical EducationJordy Peeters, Kenno Vanommeslaeghe
Plos Computational Biology|September 3, 2025
Molecular dynamics study of differential effects of serotonin-2A-receptor (5-HT2AR) modulatorsJordy Peeters, Dimitri De Bundel, Kenno Vanommeslaeghe
Current Pharmaceutical Design|August 17, 2013
Molecular mechanicsKenno Vanommeslaeghe, Olgun Guvench, Alexander D MacKerell
Journal of Computational Chemistry|April 1, 2015
Robustness in the fitting of molecular mechanics parametersKenno Vanommeslaeghe, Mingjun Yang, Alexander D MacKerell
The Journal of Physical Chemistry. B|August 20, 2014
Perturbation of long-range water dynamics as the mechanism for the antifreeze activity of antifreeze glycoproteinSairam S Mallajosyula, Kenno Vanommeslaeghe, Alexander D MacKerell
Journal of Chemical Theory and Computation|November 13, 2012
Site-Specific Fragment Identification Guided by Single-Step Free Energy Perturbation CalculationsE Prabhu Raman, Kenno Vanommeslaeghe, Alexander D Mackerell
Journal of Computational Chemistry|July 24, 2012
Extension of the CHARMM General Force Field to sulfonyl-containing compounds and its utility in biomolecular simulationsWenbo Yu, Xibing He, Kenno Vanommeslaeghe, et al.
Analytica Chimica Acta|February 22, 2022
Modelling approaches for chiral chromatography on polysaccharide-based and macrocyclic antibiotic chiral selectors: A reviewPieter De Gauquier, Kenno Vanommeslaeghe, Yvan Vander Heyden, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Quantifying the Binding Interaction between the Hypoxia-Inducible Transcription Factor and the von Hippel-Lindau SuppressorCarmen Domene, Christian Jorgensen, Kenno Vanommeslaeghe, et al.
Pageof 3

Showing results (1-10 of 30) with videos related to

Sort By:
Pageof 3
Biophysical Journal|July 24, 2025
Collagen as a stress test and a tool for improvement of glycine and proline conformations in biomolecular force fieldsKenno Vanommeslaeghe
Journal of Chemical Theory and Computation|July 22, 2024
A Simple Model for the Pauli Repulsion with Possible Utility in QM, MM and Chemical EducationJordy Peeters, Kenno Vanommeslaeghe
Plos Computational Biology|September 3, 2025
Molecular dynamics study of differential effects of serotonin-2A-receptor (5-HT2AR) modulatorsJordy Peeters, Dimitri De Bundel, Kenno Vanommeslaeghe
Current Pharmaceutical Design|August 17, 2013
Molecular mechanicsKenno Vanommeslaeghe, Olgun Guvench, Alexander D MacKerell
Journal of Computational Chemistry|April 1, 2015
Robustness in the fitting of molecular mechanics parametersKenno Vanommeslaeghe, Mingjun Yang, Alexander D MacKerell
The Journal of Physical Chemistry. B|August 20, 2014
Perturbation of long-range water dynamics as the mechanism for the antifreeze activity of antifreeze glycoproteinSairam S Mallajosyula, Kenno Vanommeslaeghe, Alexander D MacKerell
Journal of Chemical Theory and Computation|November 13, 2012
Site-Specific Fragment Identification Guided by Single-Step Free Energy Perturbation CalculationsE Prabhu Raman, Kenno Vanommeslaeghe, Alexander D Mackerell
Journal of Computational Chemistry|July 24, 2012
Extension of the CHARMM General Force Field to sulfonyl-containing compounds and its utility in biomolecular simulationsWenbo Yu, Xibing He, Kenno Vanommeslaeghe, et al.
Analytica Chimica Acta|February 22, 2022
Modelling approaches for chiral chromatography on polysaccharide-based and macrocyclic antibiotic chiral selectors: A reviewPieter De Gauquier, Kenno Vanommeslaeghe, Yvan Vander Heyden, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Quantifying the Binding Interaction between the Hypoxia-Inducible Transcription Factor and the von Hippel-Lindau SuppressorCarmen Domene, Christian Jorgensen, Kenno Vanommeslaeghe, et al.
Pageof 3