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Willem Jespers

Showing results (1-10 of 56) with videos related to

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Journal of Chemical Information and Modeling|September 17, 2025
Integrating Machine Learning into Free Energy Perturbation WorkflowsDonald J M van Pinxteren, Willem Jespers
Trends in Pharmacological Sciences|August 10, 2025
Mutated G proteins as drug targetsKian Noorman van der Dussen, Willem Jespers
Methods in Molecular Biology (Clifton, N.J.)|March 24, 2021
Free Energy Calculations for Protein-Ligand Binding PredictionWillem Jespers, Johan Åqvist, Hugo Gutiérrez-de-Terán
Journal of Cheminformatics|April 4, 2019
QligFEP: an automated workflow for small molecule free energy calculations in QWillem Jespers, Mauricio Esguerra, Johan Åqvist, et al.
International Journal of Molecular Sciences|July 19, 2019
Free-Energy Calculations for Bioisosteric Modifications of A<sub>3</sub> Adenosine Receptor AntagonistsZuzana Jandova, Willem Jespers, Eddy Sotelo, et al.
Journal of Cheminformatics|February 15, 2023
UnCorrupt SMILES: a novel approach to de novo designLinde Schoenmaker, Olivier J M Béquignon, Willem Jespers, et al.
Methods (San Diego, Calif.)|February 23, 2019
Free energy calculations of RNA interactionsChristoffer Lind, Mauricio Esguerra, Willem Jespers, et al.
Communications Chemistry|November 20, 2025
Accurate predictions of protein mutational effects accelerated with a hybrid-topology free energy protocolLucien Koenekoop, Nadine van de Brug, Willem Jespers, et al.
Journal of Chemical Theory and Computation|April 10, 2020
Theoretical Infrared Spectra: Quantitative Similarity Measures and Force FieldsHenning Henschel, Alfred T Andersson, Willem Jespers, et al.
Journal of Chemical Information and Modeling|September 2, 2025
In Search of Beautiful Molecules: A Perspective on Generative Modeling for Drug DesignRemco L van den Broek, Shivam Patel, Gerard J P van Westen, et al.
Pageof 6

Showing results (1-10 of 56) with videos related to

Sort By:
Pageof 6
Journal of Chemical Information and Modeling|September 17, 2025
Integrating Machine Learning into Free Energy Perturbation WorkflowsDonald J M van Pinxteren, Willem Jespers
Trends in Pharmacological Sciences|August 10, 2025
Mutated G proteins as drug targetsKian Noorman van der Dussen, Willem Jespers
Methods in Molecular Biology (Clifton, N.J.)|March 24, 2021
Free Energy Calculations for Protein-Ligand Binding PredictionWillem Jespers, Johan Åqvist, Hugo Gutiérrez-de-Terán
Journal of Cheminformatics|April 4, 2019
QligFEP: an automated workflow for small molecule free energy calculations in QWillem Jespers, Mauricio Esguerra, Johan Åqvist, et al.
International Journal of Molecular Sciences|July 19, 2019
Free-Energy Calculations for Bioisosteric Modifications of A<sub>3</sub> Adenosine Receptor AntagonistsZuzana Jandova, Willem Jespers, Eddy Sotelo, et al.
Journal of Cheminformatics|February 15, 2023
UnCorrupt SMILES: a novel approach to de novo designLinde Schoenmaker, Olivier J M Béquignon, Willem Jespers, et al.
Methods (San Diego, Calif.)|February 23, 2019
Free energy calculations of RNA interactionsChristoffer Lind, Mauricio Esguerra, Willem Jespers, et al.
Communications Chemistry|November 20, 2025
Accurate predictions of protein mutational effects accelerated with a hybrid-topology free energy protocolLucien Koenekoop, Nadine van de Brug, Willem Jespers, et al.
Journal of Chemical Theory and Computation|April 10, 2020
Theoretical Infrared Spectra: Quantitative Similarity Measures and Force FieldsHenning Henschel, Alfred T Andersson, Willem Jespers, et al.
Journal of Chemical Information and Modeling|September 2, 2025
In Search of Beautiful Molecules: A Perspective on Generative Modeling for Drug DesignRemco L van den Broek, Shivam Patel, Gerard J P van Westen, et al.
Pageof 6