Laura H. Heitman

According to our database, Laura H. Heitman authored at least 6 papers between 2019 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

Toward Assay-Aware Bioactivity Model(er)s: Getting a Grip on Biological Context.

Linde Schoenmaker, Enzo G. Sastrokarijo, Laura H. Heitman, Joost B. Beltman, Willem Jespers, Gerard J. P. van Westen

J. Chem. Inf. Model., 2025

Combining AlphaFold with Focused Virtual Library Design in the Development of Novel CCR2 and CCR5 Antagonists.

Khaled Essa, Kian Noorman van der Dussen, Yao Yao, Bente Bleijs, Natalia V. Ortiz Zacarias, Laura H. Heitman, Gerard J. P. van Westen, Willem Jespers, Daan van der Es, Martin Sícho

J. Chem. Inf. Model., 2025

2023

3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors.

Marina Gorostiola González, Remco L. van den Broek, Thomas G. M. Braun, Magdalini Chatzopoulou, Willem Jespers, Adriaan P. IJzerman, Laura H. Heitman, Gerard J. P. van Westen

J. Cheminformatics, December, 2023

Proteochemometric Modeling Identifies Chemically Diverse Norepinephrine Transporter Inhibitors.

Brandon J. Bongers, Huub J. Sijben, Peter B. R. Hartog, Andrey Tarnovskiy, Adriaan P. IJzerman, Laura H. Heitman, Gerard J. P. van Westen

J. Chem. Inf. Model., March, 2023

2021

Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations.

Willem Jespers, Laura H. Heitman, Adriaan P. IJzerman, Eddy Sotelo, Gerard J. P. van Westen, Johan Åqvist, Hugo Gutiérrez-de-Terán

PLoS Comput. Biol., 2021

2019

A multiple classifier system identifies novel cannabinoid CB2 receptor ligands.

David Ruano-Ordás, Lindsey Burggraaff, Rongfang Liu, Cas van der Horst, Laura H. Heitman, Michael T. M. Emmerich, José Ramón Méndez, Iryna Yevseyeva, Gerard J. P. van Westen

J. Cheminformatics, 2019