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Herman W T van Vlijmen (Herman van Vlijmen)

ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 22

Top Venues

Journal of chemical information and modeling

Journal of cheminformatics

Scientific data

Advanced theory and simulations

Janssen Research and Development Beerse

Harvard University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Janssen Research and Development Beerse Sep 1o 2011

Belgium

Senior Director :: Computational Chemistry

Education History

Harvard University Sep 1o 1991 - Oct 1o 1996

United States

PHD :: Chemistry

Publications

Anna Vlachodimou, Jara Bouma, Michel De Cleyn, Didier Berthelot, Stefan Pype, Jean-Paul Bosmans, Herman W T van Vlijmen, Berthold Wroblowski, Laura H Heitman, Adriaan P IJzerman
Kinetic profiling of novel spirobenzo-oxazinepiperidinone derivatives as equilibrative nucleoside transporter 1 inhibitors. Purinergic signalling (2023)
Philippe Rocca-Serra, Wei Gu, Vassilios Ioannidis, Tooba Abbassi-Daloii, Salvador Capella, Ishwar Chandramouliswaran, Andrea Splendiani, Tony Burdett, Robert T Giessmann, David Henderson, Dominique Batista, Ibrahim Emam, Yojana Gadiya, Lucas Giovanni, Egon L Wilighagen, Chris T A Evelo, Alasdair J G Gray, Philip Gribbon, Nick Juty, Danielle Welter, Karsten Quast, Paul Peeters, Tom Plasterer, Colin Wood, Eelke van der Horst, Dorothy S Reilly, Herman W T van Vlijmen, Serena Scollen, Allyson L Lister, Milo Thurston, Ramon Granell, null null, Susanna-Assunta Sansone
The FAIR Cookbook - the essential resource for and by FAIR doers. Scientific data 10 (1) (2023)
Michail Papadourakis, Gregory D Sinenko, Pierre Matricon, Jérôme Hénin, Grace Brannigan, Laura Pérez-Benito, Vineet Pande, Herman W T van Vlijmen, Chris de Graaf, Francesca Deflorian, Gary Tresadern, Marco Cecchini, Zoe Cournia
Alchemical Free Energy Calculations on Membrane-Associated Proteins. Journal of chemical theory and computation (2023)
Philippe Rocca-Serra, Wei Gu, Vassilios Ioannidis, Tooba Abbassi-Daloii, Salvador Capella, Ishwar Chandramouliswaran, Andrea Splendiani, Tony Burdett, Robert T Giessmann, David Henderson, Dominique Batista, Ibrahim Emam, Yojana Gadiya, Lucas Giovanni, Egon L Wilighagen, Chris T A Evelo, Alasdair J G Gray, Philip Gribbon, Nick Juty, Danielle Welter, Karsten Quast, Paul Peeters, Tom Plasterer, Colin Wood, Eelke van der Horst, Dorothy S Reilly, Herman W T van Vlijmen, Serena Scollen, Allyson L Lister, Milo Thurston, Ramon Granell, null null, Susanna-Assunta Sansone
The FAIR Cookbook - the essential resource for and by FAIR doers. Scientific data 10 (1) (2023)
Philippe Rocca-Serra, Wei Gu, Vassilios Ioannidis, Tooba Abbassi-Daloii, Salvador Capella, Ishwar Chandramouliswaran, Andrea Splendiani, Tony Burdett, Robert T Giessmann, David Henderson, Dominique Batista, Ibrahim Emam, Yojana Gadiya, Lucas Giovanni, Egon L Wilighagen, Chris T A Evelo, Alasdair J G Gray, Philip Gribbon, Nick Juty, Danielle Welter, Karsten Quast, Paul Peeters, Tom Plasterer, Colin Wood, Eelke van der Horst, Dorothy S Reilly, Herman W T van Vlijmen, Serena Scollen, Allyson L Lister, Milo Thurston, Ramon Granell, null null, Susanna-Assunta Sansone
The FAIR Cookbook - the essential resource for and by FAIR doers. Scientific data 10 (1) (2023)
Francesc Sabanés Zariquiey, Edgar Jacoby, Ann Vos, Herman W T van Vlijmen, Gary Tresadern, Jeremy N Harvey
Divide and Conquer. Pocket-Opening Mixed-Solvent Simulations in the Perspective of Docking Virtual Screening Applications for Drug Discovery. Journal of chemical information and modeling 62 (3) (2022)
Gary Tresadern, Kanaka Tatikola, Javier Cabrera, Lingle Wang, Robert Abel, Herman W T van Vlijmen, Helena Geys
The Impact of Experimental and Calculated Error on the Performance of Affinity Predictions. Journal of chemical information and modeling 62 (3) (2022)
Xuhan Liu, Kai Ye, Herman W T van Vlijmen, Michael T M Emmerich, Adriaan P IJzerman, Gerard van Westen
DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology. Journal of cheminformatics 13 (1) (2021)
Kenneth Goossens, Berthold Wroblowski, Cassiano Langini, Herman W T van Vlijmen, Amedeo Caflisch, Hans De Winter
Assessment of the Fragment Docking Program SEED. Journal of chemical information and modeling 60 (10) (2020)
Lindsey Burggraaff, Eelke B Lenselink, Willem Jespers, Jesper van Engelen, Brandon J Bongers, Marina Gorostiola González, Rongfang Liu, Holger H Hoos, Herman W T van Vlijmen, Adriaan P IJzerman, Gerard van Westen
Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors. Journal of chemical information and modeling 60 (9) (2020)
Lindsey Burggraaff, Herman W T van Vlijmen, Adriaan P IJzerman, Gerard van Westen
Quantitative prediction of selectivity between the A1 and A2A adenosine receptors. Journal of cheminformatics 12 (1) (2020)
Francesca Deflorian, Laura Perez Benito, Eelke B Lenselink, Miles Congreve, Herman W T van Vlijmen, Jonathan S Mason, Chris de Graaf, Gary Tresadern
Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation. Journal of chemical information and modeling 60 (11) (2020)
Lindsey Burggraaff, Amber van Veen, Chi Chung Lam, Herman W T van Vlijmen, Adriaan P IJzerman, Gerard van Westen
Annotation of Allosteric Compounds to Enhance Bioactivity Modeling for Class A GPCRs. Journal of chemical information and modeling 60 (10) (2020)
David W Wright, Fouad S Husseini, Shunzhou Wan, Christophe Meyer, Herman W T van Vlijmen, Gary Tresadern, Peter V Coveney
Application of the ESMACS Binding Free Energy Protocol to a Multi-Binding Site Lactate Dehydogenase A Ligand Dataset. Advanced theory and simulations 3 (1) (2019)
Vytautas Gapsys, Laura Perez Benito, Matteo Aldeghi, Daniel Seeliger, Herman W T van Vlijmen, Gary Tresadern, Bert L de Groot
Large scale relative protein ligand binding affinities using non-equilibrium alchemy. Chemical science 11 (4) (2019)
Angus Voice, Gary Tresadern, Herman W T van Vlijmen, Adrian J Mulholland
Limitations of Ligand-Only Approaches for Predicting the Reactivity of Covalent Inhibitors. Journal of chemical information and modeling 59 (10) (2019)
Shunzhou Wan, Gary Tresadern, Laura Perez Benito, Herman W T van Vlijmen, Peter V Coveney
Accuracy and Precision of Alchemical Relative Free Energy Predictions with and without Replica-Exchange. Advanced theory and simulations 3 (1) (2019)
Laura Perez Benito, Nil Casajuana-Martin, Mireia Jiménez-Rosés, Herman W T van Vlijmen, Gary Tresadern
Predicting Activity Cliffs with Free-Energy Perturbation. Journal of chemical theory and computation 15 (3) (2019)
Xuhan Liu, Kai Ye, Herman W T van Vlijmen, Adriaan P IJzerman, Gerard van Westen
An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A2A receptor. Journal of cheminformatics 11 (1) (2019)
David W Wright, Shunzhou Wan, Christophe Meyer, Herman W T van Vlijmen, Gary Tresadern, Peter V Coveney
Application of ESMACS binding free energy protocols to diverse datasets: Bromodomain-containing protein 4. Scientific reports 9 (1) (2019)
Dominique Sydow, Lindsey Burggraaff, Angelika Szengel, Herman W T van Vlijmen, Adriaan P IJzerman, Gerard van Westen, Andrea Volkamer
Advances and Challenges in Computational Target Prediction. Journal of chemical information and modeling 59 (5) (2019)
Laura Pérez-Benito, Henrik Keränen, Herman W T van Vlijmen, Gary Tresadern
Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein Conformation. Scientific reports 8 (1) (2018)

Herman W T van Vlijmen.css-eqlu8i{font-size:small;padding-left:4px;} (Herman van Vlijmen)

Publication Activity (10 Years)

Top Topics

Top Venues

Herman W T van Vlijmen (Herman van Vlijmen)