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

W. Jespers, L. Heitman, A. IJzerman, E. Sotelo, G. van Westen, J. Åqvist, and H. de Terán. PLoS Comput. Biol., (2021)

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Gerard J Docherty

Theo P J van den Hout

Gerard Van den Berg

Gerard van den Berg

Gerard van der Heyden

Other publications of authors with the same name

Computational Approaches for De Novo Drug Design: Past, Present, and Future.X. Liu, A. IJzerman, and G. van Westen. Artificial Neural Networks, 3rd Edition, volume 2190 of Methods in Molecular Biology, Springer, (2021)Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets.G. van Westen, R. Swier, J. Wegner, A. IJzerman, H. van Vlijmen, and A. Bender. J. Cheminformatics, (2013)Chemogenomics: Looking at biology through the lens of chemistry.M. Doddareddy, G. van Westen, E. van der Horst, J. Peironcely, F. Corthals, A. IJzerman, M. Emmerich, J. Jenkins, and A. Bender. Stat. Anal. Data Min., 2 (3): 149-160 (2009)Proteochemometric Modeling Identifies Chemically Diverse Norepinephrine Transporter Inhibitors.B. Bongers, H. Sijben, P. Hartog, A. Tarnovskiy, A. IJzerman, L. Heitman, and G. van Westen. J. Chem. Inf. Model., 63 (6): 1745-1755 (March 2023)Chemical, Target, and Bioactive Properties of Allosteric Modulation.G. van Westen, A. Gaulton, and J. Overington. PLoS Comput. Biol., (2014)Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors.L. Burggraaff, E. Lenselink, W. Jespers, J. van Engelen, B. Bongers, M. González, R. Liu, H. Hoos, H. van Vlijmen, A. IJzerman and 1 other author(s). J. Chem. Inf. Model., 60 (9): 4283-4295 (2020)Identification of novel small molecule inhibitors for solute carrier SGLT1 using proteochemometric modeling.L. Burggraaff, P. Oranje, R. Gouka, P. van der Pijl, M. Geldof, H. van Vlijmen, A. IJzerman, and G. van Westen. J. Cheminformatics, 11 (1): 15:1-15:10 (2019)DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical Space.M. Sícho, S. Luukkonen, H. van den Maagdenberg, L. Schoenmaker, O. Béquignon, and G. van Westen. J. Chem. Inf. Model., 63 (12): 3629-3636 (June 2023)Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets.G. van Westen, R. Swier, I. Cortes-Ciriano, J. Wegner, J. Overington, A. IJzerman, H. van Vlijmen, and A. Bender. J. Cheminformatics, (2013)3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors.M. González, R. van den Broek, T. Braun, M. Chatzopoulou, W. Jespers, A. IJzerman, L. Heitman, and G. van Westen. J. Cheminformatics, 15 (1): 74 (December 2023)

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Disambiguation of "van Westen, Gerard J. P."

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

Please choose a person to relate this publication to

Gerard J Docherty

Theo P J van den Hout

Gerard Van den Berg

Gerard van den Berg

Gerard van der Heyden

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "van Westen, Gerard J. P."

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations.

Please choose a person to relate this publication to

Gerard J Docherty

Theo P J van den Hout

Gerard Van den Berg

Gerard van den Berg

Gerard van der Heyden

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
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history of this post
URL
DOI
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Chicago
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Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations.

Gerard van den Berg