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Herman van Vlijmen

Showing results (1-10 of 49) with videos related to

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Journal of Computer-Aided Molecular Design|December 21, 2016
Computational chemistry at JanssenHerman van Vlijmen, Renee L Desjarlais, Tara Mirzadegan
Journal of Chemical Information and Modeling|April 5, 2018
Large-Scale Validation of Mixed-Solvent Simulations to Assess Hotspots at Protein-Protein Interaction InterfacesPhani Ghanakota, Herman van Vlijmen, Woody Sherman, et al.
Journal of Chemical Information and Modeling|September 10, 2019
Limitations of Ligand-Only Approaches for Predicting the Reactivity of Covalent InhibitorsAngus Voice, Gary Tresadern, Herman van Vlijmen, et al.
BMC Bioinformatics|March 28, 2014
Multi-model inference using mixed effects from a linear regression based genetic algorithmKoen Van der Borght, Geert Verbeke, Herman van Vlijmen
Scientific Reports|March 22, 2018
Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein ConformationLaura Pérez-Benito, Henrik Keränen, Herman van Vlijmen, et al.
Journal of Chemical Information and Modeling|May 22, 2007
Recent advances in chemoinformaticsDimitris K Agrafiotis, Deepak Bandyopadhyay, Jörg K Wegner, et al.
Advanced Theory and Simulations|September 16, 2021
Accuracy and Precision of Alchemical Relative Free Energy Predictions with and without Replica-ExchangeShunzhou Wan, Gary Tresadern, Laura Pérez-Benito, et al.
Journal of Chemical Information and Modeling|December 7, 2025
Combining Bayesian and Evidential Uncertainty Quantification for Improved Bioactivity ModelingBola Khalil, Kajetan Schweighofer, Natalia Dyubankova, et al.
Journal of Chemical Theory and Computation|February 19, 2019
Predicting Activity Cliffs with Free-Energy PerturbationLaura Pérez-Benito, Nil Casajuana-Martin, Mireia Jiménez-Rosés, et al.
Chemical Science|May 17, 2021
Mechanism of covalent binding of ibrutinib to Bruton's tyrosine kinase revealed by QM/MM calculationsAngus T Voice, Gary Tresadern, Rebecca M Twidale, et al.
Pageof 5

Showing results (1-10 of 49) with videos related to

Sort By:
Pageof 5
Journal of Computer-Aided Molecular Design|December 21, 2016
Computational chemistry at JanssenHerman van Vlijmen, Renee L Desjarlais, Tara Mirzadegan
Journal of Chemical Information and Modeling|April 5, 2018
Large-Scale Validation of Mixed-Solvent Simulations to Assess Hotspots at Protein-Protein Interaction InterfacesPhani Ghanakota, Herman van Vlijmen, Woody Sherman, et al.
Journal of Chemical Information and Modeling|September 10, 2019
Limitations of Ligand-Only Approaches for Predicting the Reactivity of Covalent InhibitorsAngus Voice, Gary Tresadern, Herman van Vlijmen, et al.
BMC Bioinformatics|March 28, 2014
Multi-model inference using mixed effects from a linear regression based genetic algorithmKoen Van der Borght, Geert Verbeke, Herman van Vlijmen
Scientific Reports|March 22, 2018
Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein ConformationLaura Pérez-Benito, Henrik Keränen, Herman van Vlijmen, et al.
Journal of Chemical Information and Modeling|May 22, 2007
Recent advances in chemoinformaticsDimitris K Agrafiotis, Deepak Bandyopadhyay, Jörg K Wegner, et al.
Advanced Theory and Simulations|September 16, 2021
Accuracy and Precision of Alchemical Relative Free Energy Predictions with and without Replica-ExchangeShunzhou Wan, Gary Tresadern, Laura Pérez-Benito, et al.
Journal of Chemical Information and Modeling|December 7, 2025
Combining Bayesian and Evidential Uncertainty Quantification for Improved Bioactivity ModelingBola Khalil, Kajetan Schweighofer, Natalia Dyubankova, et al.
Journal of Chemical Theory and Computation|February 19, 2019
Predicting Activity Cliffs with Free-Energy PerturbationLaura Pérez-Benito, Nil Casajuana-Martin, Mireia Jiménez-Rosés, et al.
Chemical Science|May 17, 2021
Mechanism of covalent binding of ibrutinib to Bruton's tyrosine kinase revealed by QM/MM calculationsAngus T Voice, Gary Tresadern, Rebecca M Twidale, et al.
Pageof 5