about
Optogenetic activation of intracellular adenosine A2A receptor signaling in the hippocampus is sufficient to trigger CREB phosphorylation and impair memoryPrediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling.Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small moleculesA document classifier for medicinal chemistry publications trained on the ChEMBL corpusWhich compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical developmentSignificantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram dataChemical, target, and bioactive properties of allosteric modulationMycobacterial dihydrofolate reductase inhibitors identified using chemogenomic methods and in vitro validationA large-scale crop protection bioassay data setProteochemometric modeling in a Bayesian framework.Importance of the extracellular loops in G protein-coupled receptors for ligand recognition and receptor activationData-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening.Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modellingStructure-based identification of OATP1B1/3 inhibitors.Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data.Random Forest ensembles for detection and prediction of Alzheimer's disease with a good between-cohort robustness.Domains for activation and inactivation in G protein-coupled receptors--a mutational analysis of constitutive activity of the adenosine A2B receptor.Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel.Chemogenomics approaches for receptor deorphanization and extensions of the chemogenomics concept to phenotypic space.Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets.A novel nonribose agonist, LUF5834, engages residues that are distinct from those of adenosine-like ligands to activate the adenosine A(2a) receptor.Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound-Kinase Activities: A Way toward Selective Promiscuity by Design?A Systems Biology Approach for Identifying Hepatotoxicant Groups Based on Similarity in Mechanisms of Action and Chemical Structure.Mining protein dynamics from sets of crystal structures using "consensus structures".Three "hotspots" important for adenosine A(2B) receptor activation: a mutational analysis of transmembrane domains 4 and 5 and the second extracellular loopBenchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets.Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set.Reduced hepatitis B and D viral entry using clinically applied drugs as novel inhibitors of the bile acid transporter NTCP.A ligand's-eye view of protein similarity.Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features.Molecular bioactivity extrapolation to novel targets by support vector machines.Identification of Allosteric Modulators of Metabotropic Glutamate 7 Receptor Using Proteochemometric Modeling.Structural Mapping of Adenosine Receptor Mutations: Ligand Binding and Signaling Mechanisms.Interacting with GPCRs: Using Interaction Fingerprints for Virtual ScreeningTarget and Tissue Selectivity Prediction by Integrated Mechanistic Pharmacokinetic-Target Binding and Quantitative Structure Activity Modeling.Déjà Vu - Réjà VuProteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targetsGPCR structure and activation: an essential role for the first extracellular loop in activating the adenosine A2B receptorMyChEMBL: A Virtual Platform for Distributing Cheminformatics Tools and Open DataPolypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects
P50
Q27319930-AB10CBA0-E272-4E8F-A839-9CF903EABFDAQ27902278-FDD0BEF5-9D91-464A-B2B6-D15A87381BC9Q27902305-A597CDD0-E70E-417B-B2AF-CCABB42FEA50Q27902337-D1169BE9-212A-47CB-BBAC-89593FD48DE3Q28478130-915B355D-7A53-4D53-B96A-972ED16C8CF2Q28486299-7375BBCA-462C-4185-B653-8B1D76C81CA8Q28541837-E167C030-C097-4356-B3A4-2BEB8730C17DQ28544916-C887AD61-F2DB-444B-B122-937350BAE029Q28647441-06667043-C45E-4A3F-B414-DF2A2C60E6FBQ30086274-EF40098D-42F0-4292-ACF3-610CAE8A68D3Q30522852-56ebbfa4-4045-703a-25c9-e3bb7fde4b54Q31139520-AB26AD77-76C6-4EB3-8ADE-7B0731289CC3Q34276713-4C022BA0-B6F5-4C97-AF13-6B2D21B5674AQ34338211-FEEA2C58-82E7-4BAF-AA91-69B37C6145F1Q34349853-E5CD8F3D-FC45-4F50-A623-55C49EC8E921Q34432585-5A6AABCF-959F-4DF5-969B-4014A3E982C9Q35236417-AA90944C-8EA3-4951-BC87-7BA1D5973F35Q36379132-1087C1E4-C6DF-4328-BB06-9A5F9531454AQ37862340-D7EF06B0-228A-42CB-8C44-0808AB75983AQ39411048-DB8300C4-D766-4128-84C3-78642A301FB1Q39424469-5DE4A926-E117-46EE-8893-C5861E931987Q39534317-930305E2-3A97-483D-A237-B54CA878399FQ39677914-2FB1C2A9-FD15-4005-ABC0-6BDD3A6B38C4Q40454703-00612F95-4623-4D87-80E0-A5EE2803948BQ41542396-FB0097A4-43BC-4504-B315-C5776F4D6114Q41760025-81B1F4CA-386A-48B6-A2FD-278B9B82E85AQ42695674-A86E5C03-2AF7-432D-9D9D-57C5F37CB8DAQ43940290-CB3B541B-3CF2-4575-9F0F-3C35BEFD8460Q44936806-618FCBFF-5D14-48E8-B899-E3A226065540Q45383758-BDFA8CD3-F706-4964-B387-30BA624189F3Q45819243-430D76E0-BC92-49C1-88ED-65A0E9AE4825Q47172533-38F46E37-0847-4CB2-87C0-3A3DCCAB68C9Q47333337-A39C70B8-4780-41EA-966E-35167DFAC68FQ47522548-37D16D39-C28A-4F78-A2B8-3CC7BE1C495CQ47933466-B7FD6211-1FEE-4D3D-9C3E-4279180299F7Q52223897-0bcfc672-47db-f269-e49e-5faba20904bfQ54152447-9456038C-4EFC-4A00-9EE7-93A20E094D65Q54152464-E2D95142-1054-4C99-A8DE-829DB842A1D4Q54152491-93EC413F-5AEC-40CC-8578-68F3E59DBF3EQ54152494-7193EDAA-12F0-4535-BD50-A872C1D8829E
P50
description
Dutch scholar
@en
onderzoeker
@nl
name
Gerard J. P. van Westen
@en
Gerard J. P. van Westen
@es
Gerard J.P. van Westen
@sl
Gerard van Westen
@fr
Gerard van Westen
@nl
type
label
Gerard J. P. van Westen
@en
Gerard J. P. van Westen
@es
Gerard J.P. van Westen
@sl
Gerard van Westen
@fr
Gerard van Westen
@nl
altLabel
G van Westen GJP van Westen, GJ van Westen
@en
G van Westen
@en
G. van Westen
@nl
G.J.P. van Westen
@nl
GJ van Westen
@en
GJP van Westen
@en
Gerard J P van Westen
@en
Gerard J.P. van Westen
@nl
Gerard van Westen
@en
van Westen G
@en
prefLabel
Gerard J. P. van Westen
@en
Gerard J. P. van Westen
@es
Gerard J.P. van Westen
@sl
Gerard van Westen
@fr
Gerard van Westen
@nl
P108
P184
P569
P1026
P1053
D-7432-2011
P106
P108
P1153
35770054200
P1416
P1960
H7farnwAAAAJ
P2002
GJPvWesten
P21
P2456
P31
P3829
P496
0000-0003-0717-1817
P569
1983-01-01T00:00:00Z
1983-03-28T00:00:00Z
2000-01-01T00:00:00Z
P735
P7449
PRS1314941