Prof. Gerard JP van Westen

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Suautori

Herman van VlijmenHead, Computational ChemistryPotvrđena adresa e-pošte na its.jnj.com
Andreas BenderKhalifa University; University of Cambridge; Pangea Bio; Universitatea Babeș-Bolyai; UMF ClujPotvrđena adresa e-pošte na ku.ac.ae
Laura HeitmanFull Professor of Molecular PharmacologyPotvrđena adresa e-pošte na lacdr.leidenuniv.nl
Willem JespersLeiden UniversityPotvrđena adresa e-pošte na lacdr.leidenuniv.nl
Eelke Bart LenselinkGalapagosPotvrđena adresa e-pošte na glpg.com
Jörg Kurt WegnerDirector, In Silico Discovery, Janssen R&D, Cambridge, MA, USPotvrđena adresa e-pošte na its.jnj.com
John P. OveringtonDrughunter.comPotvrđena adresa e-pošte na drughunter.com
Lindsey BurggraaffLeiden UniversityPotvrđena adresa e-pošte na lacdr.leidenuniv.nl
Isidro Cortés CirianoEMBL-EBIPotvrđena adresa e-pošte na ebi.ac.uk
Brandon J BongersLeiden UniversityPotvrđena adresa e-pošte na lacdr.leidenuniv.nl
Therese MalliavinLaboratoire de Physique et Chimie ThéoriquesPotvrđena adresa e-pošte na univ-lorraine.fr
George PapadatosHead of Data, Syngenta CP R&DPotvrđena adresa e-pošte na syngenta.com
Julio Saez RodriguezHeidelberg UniversityPotvrđena adresa e-pošte na uni-heidelberg.de
Hugo Gutierrez-de-TeranTenured Scientist, CSIC and professor of Computational Biochemistry, Uppsala UniversityPotvrđena adresa e-pošte na csic.es
Olivier BéquignonAmsterdam UMCPotvrđena adresa e-pošte na lacdr.leidenuniv.nl
Bob van de WaterProfessor of Drug Safety Sciences, Leiden UniversityPotvrđena adresa e-pošte na lacdr.leidenuniv.nl
Marina Gorostiola GonzálezPhD candidate, Leiden UniversityPotvrđena adresa e-pošte na lacdr.leidenuniv.nl
Mario van der SteltLeiden UniversityPotvrđena adresa e-pošte na chem.leidenuniv.nl
Gustavo StolovitzkyDirector, Biomed Data Sciences Hub, NYU Langone Health; Prof. Pathology Dep, NYU School of MedicinePotvrđena adresa e-pošte na nyulangone.org
Mukesh BansalBristol Myers SquibbPotvrđena adresa e-pošte na bms.com

Prati

Prof. Gerard JP van Westen

PI Computational Drug Discovery (Professor AI & Med Chem, Leiden University)

Potvrđena adresa e-pošte na gjpvanwesten.nl - Početna stranica

Proteochemometrics Chemogenomics Drug Design BioInformatics ChemInformatics


Naslov Poredaj po navodima Poredaj po godini Poredaj po naslovu	Citirano Citirano	Godina
A community effort to assess and improve drug sensitivity prediction algorithms JC Costello, LM Heiser, E Georgii, M Gönen, MP Menden, NJ Wang, ... Nature biotechnology 32 (12), 1202-1212, 2014	811	2014
A community computational challenge to predict the activity of pairs of compounds M Bansal, J Yang, C Karan, MP Menden, JC Costello, H Tang, G Xiao, ... Nature biotechnology 32 (12), 1213-1222, 2014	342	2014
Random Forest ensembles for detection and prediction of Alzheimer's disease with a good between-cohort robustness AV Lebedev, E Westman, GJP Van Westen, MG Kramberger, ... NeuroImage: Clinical 6, 115-125, 2014	341	2014
Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set EB Lenselink, N Dijke, B Bongers, G Papadatos, HWT Vlijmen, ... Journal of cheminformatics 9 (1), 45, 2017	339	2017
Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen Nature Communications 10, 2674, 2019	327	2019
Importance of the extracellular loops in G protein-coupled receptors for ligand recognition and receptor activation MC Peeters, GJP Van Westen, Q Li, AP IJzerman Trends in pharmacological sciences 32 (1), 35-42, 2011	272	2011
Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets GJP Van Westen, JK Wegner, AP IJzerman, HWT Van Vlijmen, A Bender MedChemComm 2 (1), 16-30, 2011	213	2011
Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges I Kufareva, V Katritch, RC Stevens, R Abagyan Structure 22 (8), 1120-1139, 2014	191	2014
Novel technologies for metabolomics: More for less P Miggiels, B Wouters, GJP van Westen, AC Dubbelman, T Hankemeier TrAC Trends in Analytical Chemistry 120, 115323, 2019	158	2019
Optogenetic activation of intracellular adenosine A2A receptor signaling in the hippocampus is sufficient to trigger CREB phosphorylation and impair memory P Li, D Rial, PM Canas, JH Yoo, W Li, X Zhou, Y Wang, GJP van Westen, ... Molecular psychiatry 20 (11), 1339-1349, 2015	158	2015
Artificial intelligence for natural product drug discovery MW Mullowney, KR Duncan, SS Elsayed, N Garg, JJJ van der Hooft, ... Nature Reviews Drug Discovery 22 (11), 895-916, 2023	152	2023
Structure-based identification of OATP1B1/3 inhibitors T De Bruyn, GJP Van Westen, AP IJzerman, B Stieger, P de Witte, ... Molecular pharmacology 83 (6), 1257-1267, 2013	144	2013
Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel I Cortes-Ciriano, GJP Van Westen, G Bouvier, M Nilges, JP Overington, ... Bioinformatics 32 (1), 85-95, 2016	143	2016
Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects I Cortés-Ciriano, QU Ain, V Subramanian, EB Lenselink, O Méndez-Lucio, ... MedChemComm 6 (1), 24-50, 2015	141	2015
Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets GJP van Westen, RF Swier, JK Wegner, AP IJzerman, HWT van Vlijmen, ... Journal of Cheminformatics 5 (1), 41, 2013	141	2013
Advances and challenges in computational target prediction D Sydow, L Burggraaff, A Szengel, HWT van Vlijmen, AP IJzerman, ... Journal of chemical information and modeling 59 (5), 1728-1742, 2019	129	2019
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets GJP van Westen, RF Swier, I Cortes-Ciriano, JK Wegner, JP Overington, ... Journal of cheminformatics 5, 1-20, 2013	103	2013
The RESOLUTE consortium: unlocking SLC transporters for drug discovery G Superti-Furga, D Lackner, T Wiedmer, A Ingles-Prieto, B Barbosa, ... Nature reviews Drug discovery 19 (7), 429-430, 2020	98	2020
Chemical, target, and bioactive properties of allosteric modulation GJP van Westen, A Gaulton, JP Overington PLoS Computational Biology 10 (4), e1003559, 2014	96	2014
Reduced hepatitis B and D viral entry using clinically applied drugs as novel inhibitors of the bile acid transporter NTCP JM Donkers, B Zehnder, GJP van Westen, MJ Kwakkenbos, AP IJzerman, ... Scientific reports 7 (1), 15307, 2017	92	2017

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