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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Laura H. Heitman

3 results in Authors: Laura H. Heitman

Theoretical and Computational Chemistry

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

Version 1 posted 23 May 2023

152

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Biological and Medicinal Chemistry

Excuse me, there is a mutant in my bioactivity soup! A comprehensive analysis of the genetic variability landscape of bioactivity databases and its effect on activity modelling

Marina Gorostiola González, Olivier J. M. Béquignon, Emma Manners, Anna Gaulton, Prudence Mutowo, Elisabeth Dawson, Barbara Zdrazil, Andrew R. Leach, Adriaan P. IJzerman, Laura H. Heitman, Gerard J. P. van Westen

Version 1 posted 24 June 2024

96

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Biological and Medicinal Chemistry

Highly Selective Drug-Derived Fluorescent Probes for the Cannabinoid Receptor Type 1 (CB1R)

Leonard Mach, Anahid Omran, Jara Bouma, Silke Radetzki, David A. Sykes, Wolfgang Guba, Xiaoting Li, Calvin Höffelmeyer, Axel Hentsch, Thais Gazzi, Yelena Mostinski, Malgorzata Wasinska-Kalwa, Fabio de Molnier, Cas van der Horst, Jens Peter von Kries, Marc Vendrell, Tian Hua, Dmitry B. Veprintsev, Laura H. Heitman, Uwe Grether, Marc Nazare

Version 1 posted 22 February 2024

255

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