Please click for pre-prints when not OA.
62 Prioritization of novel ADPKD drug candidates from disease-stage specific gene expression profiles
ACS Central Science (2019), 5, (12), , https://pubs.acs.org/doi/10.1021/acscentsci.9b01022
Tareq B. Malas, Wouter N. Leonhard, Hester Bange, Zoraide Granchi, Kristina M. Hettne, Gerard J.P. Van Westen, Leo S. Price, Peter A.C. 't Hoen, and Dorien J.M. Peters
|
61 Development of a Retinal-Based Probe for the Profiling of Retinaldehyde Dehydrogenases in Cancer Cells
EBioMedicine (2020), 51, , https://doi.org/10.1016/j.ebiom.2019.11.046
Sebastiaan T. A. Koenders, Lukas S. Wijaya, Martje N. Erkelens, Alexander T. Bakker, Vera E. van der Noord, Eva J. van Rooden,
Lindsey Burggraaff, Pasquale C. PutterElse Botter, Kim Wals, Hans van den Elst, Hans den Dulk, Bogdan I. Florea, Bob van de Water,
Gerard J. P. van Westen, Reina E. Mebius, Herman S. Overkleeft, Sylvia E. Le Dévédec, and Mario van der Stelt
|
60 A multiple classifier system identifies novel cannabinoid CB2 receptor ligands
Journal of Cheminformatics (2019), 11, (66), , https://doi.org/10.1186/s13321-019-0389-9
David Ruano-Ordás, Lindsey Burggraaff, Rongfang Liu, Cas van der Horst, Laura H. Heitman, Michael T. M. Emmerich, Jose R. Mendez, Iryna Yevseyeva, and Gerard J. P. van Westen
|
59 Number of ECG Replicates and QT Correction Formula Influences the Estimated QT Prolonging Effect of a Drug
Journal of Cardiovascular Pharmacology (2019), 73, (4), 257-264-7922 , https://doi.org/10.1097/FJC.0000000000000657
Hein Evert van der Wall, Pim Gal, Michiel J. Kemme, G.J.P. van Westen, and J. Burggraaf
|
58 Structure Kinetics Relationships and Molecular Dynamics Show Crucial Role for Heterocycle Leaving Group in Irreversible Diacylglycerol Lipase Inhibitors
Journal of Medicinal Chemistry (2019), 62, (17), 7910-7922 , https://doi.org/10.1021/acs.jmedchem.9b00686
Antonius P.A. Janssen, Jacob M.A. van Hengst, Olivier J.M. Béquignon, Hui Deng, Gerard J.P. van Westen , and Mario van der Stelt
|
57 Development of Ubiquitin-Based Probe for Metalloprotease Deubiquitinases
Angewandte Chemie International Edition (2019), 58, (41), 14477-14482 , https://doi.org/10.1002/anie.201906790
Dharjath S. Hameed, Aysegul Sapmaz, Lindsey Burggraaff, Alessia Amore, Cornelis J. Slingerland, Gerard J. P. van Westen, and Huib Ovaa
|
56 Multi-targeted kinase inhibition alleviates mTOR inhibitor resistance in triple-negative breast cancer
Breast Cancer Research and Treatment (2019), 178,(2), 263–274 , https://doi.org/10.1007/s10549-019-05380-z
Jichao He, Ronan P. McLaughlin, Vera van der Noord, John A. Foekens, John W. M. Martens, Gerard JP van Westen, Yinghui Zhang,
and Bob van de Water
|
55 Community assessment to advance computational prediction of cancer drug combinations in a
pharmacogenomic screen
Nature Communications (2019), 10, 2674 , https://doi.org/10.1038/s41467-019-09799-2
Michael P. Menden, Dennis Wang, Mike J. Mason, Bence Szalai, Krishna C. Bulusu, Yuanfang Guan, Thomas Yu, Jaewoo Kang, Minji Jeon, Russ Wolfinger, Tin Nguyen, Mikhail Zaslavskiy, AstraZeneca-Sanger Drug Combination DREAM Consortium, Gerard JP van Westen , In Sock Jang, Zara Ghazoui, Mehmet Eren Ahsen, Robert Vogel, Elias Chaibub Neto, Thea Norman, Eric K. Y. Tang, Mathew J. Garnett, Giovanni Y. Di Veroli, Stephen Fawell, Gustavo Stolovitzky, Justin Guinney, Jonathan R. Dry, and Julio Saez-Rodriguez
|
54 Novel natural and synthetic inhibitors of solute carriers SGLT1 and SGLT2
Pharmacology research and perspectives (2019), 7, (4), e00504, https://doi.org/10.1002/prp2.504
Paul Oranje, Robin Gouka, Lindsey Burggraaff, Mario Vermeer, Clément Chalet, Guus Duchateau, Pieter van der Pijl, Marian Geldof,
Niels de Roo, Fenja Clauwaert, Toon Vanpaeschen, Johan Nicolaï, Tom de Bruyn, Pieter Annaert, Adriaan P. IJzerman,
and Gerard J. P. van Westen
|
53
An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A2A receptor
Journal of Cheminformatics (2019), 11, 35, https://doi.org/10.1186/s13321-019-0355-6
Xuhan Liu, Kai Ye, Herman W. T. van Vlijmen, Adriaan P. IJzerman, and Gerard J. P. van Westen
|
52
Body mass index related electrocardiographic findings in healthy young individuals with a normal body mass index
Netherlands Heart Journal (2019), 27,(10), 506–512, https://doi.org/10.1007/s12471-019-1282-x
G. J. Hassing, H. E. C. van der Wall, G. J. P. van Westen, M. J. B. Kemme, A. Adiyaman, A. Elvan, J. Burggraaf, P. Gal
|
51
In vitro 3d phenotypic drug screen identifies celastrol as an effective in vivo inhibitor of polycystic kidney disease
Journal of Molecular Cell Biology (2019), mjz029, https://doi.org/10.1093/jmcb/mjz029
Tijmen H. Booij, Wouter N. Leonhard, Hester Bange, Kuan Yan, Michiel Fokkelman, Anna J. Plugge, Kimberley A.M/ Veraar,
Johannes G. Dauwerse, Gerard J.P. van Westen, Bob van de Water, Leo S. Price, and Dorien J. M. Peters
|
50
Identification of novel small molecule inhibitors for solute carrier SGLT1 using proteochemometric modeling
Journal of Chemical Information and Modeling (2019), 11, (15),
https://doi.org/10.1186/s13321-019-0337-8
Lindsey Burggraaff, Paul Oranje, Robin Gouka, Pieter van der Pijl, Marian Geldof, Herman W. T. van Vlijmen, Adriaan P. IJzerman,
and Gerard J.P. van Westen
|
49
Advances and Challenges in Computational Target Prediction
Journal of Chemical Information and Modeling (2019), 59, (5), 1728-1742,
https://doi.org/10.1021/acs.jcim.8b00832
Dominique Sydow , Lindsey Burggraaff , Angelika Szengel, Herman W. T. van Vlijmen , Adriaan P. IJzerman ,
Gerard J. P. van Westen , and Andrea Volkamer
|
48
Number of ECG Replicates and QT Correction Formula Influences the Estimated QT Prolonging Effect of a Drug
Journal of Cardiovascular Pharmacology (2019), 73 (4), 257–264
https://doi.org/10.1097/FJC.0000000000000657
Hein Evert Christiaan van der Wall, Pim Gal, Michiel J. B. Kemme, Gerard.J.P. van Westen, and Koos Burggraaf
|
47 Comprehensive structure-activity-relationship of azaindoles as highly potent FLT3 inhibitors
Bioorganic & Medicinal Chemistry (2019), 27 (5), 692-699, https://doi.org/10.1016/j.bmc.2019.01.006
Sebastian H. Grimm, Berend Gagestein, Jordi F. Keijzer, Nora Liu, Ruud H. Wijdeven, Eelke B. Lenselink, Adriaan W. Tuind, Adrianus M.C.H.van den Nieuwendijk, Gerard J.P.van Westen, Constant A.A.van Boeckel, Herman S. Overkleeft, Jacques Neefjes, Mario van der Stelt
|
46 Activity-Based Protein Profiling Identifies α-Ketoamides as Inhibitors for Phospholipase A2 Group XVI
ACS Chemical Biology (2019), 14 (2), https://doi.org/10.1021/acschembio.8b00969
Juan Zhou, Elliot D. Mock, Andrea Martella, Vasudev Kantae, Xinyu Di, Lindsey Burggraaff, Marc P. Baggelaar, Karol Al-Ayed, Alexander Bakker, Bogdan I. Florea, Sebastian H. Grimm, Hans den Dulk, Chun T. Li, Laura Mulder, Herman S. Overkleeft, Thomas Hankemeier, Gerard J. P. van Westen, and Mario van der Stelt
|
45 Novel technologies for metabolomics: More for less
Trends in Analytical Chemistry (2019), 120, https://doi.org/10.1016/j.trac.2018.11.021
Paul Miggiels, Bert Wouters, Gerard J.P.van Westen, Anne-Charlotte Dubbelman ,Thomas Hankemeier
|
44 Drug Discovery Maps, a Machine Learning Model That Visualizes and Predicts Kinome–Inhibitor Interaction Landscapes
JCIM (2019), 53 (9), https://doi.org/10.1021/acs.jcim.8b00640
Antonius P. A. Janssen, Sebastian H. Grimm, Ruud H. M. Wijdeven, Eelke B. Lenselink, Jacques Neefjes, Constant A. A. van Boeckel,
Gerard J. P. van Westen, and Mario van der Stelt
|
43 Linking drug target and pathway activation for effective therapy using multi-task learning
Scientific Reports (2018), 8322, https://doi.org/10.1038/s41598-018-25947-y
Mi Yang, Jaak Simm, Chi Chung Lam, Pooya Zakeri, Gerard J. P. van Westen, Yves Moreau and Julio Saez-Rodriguez
|
42 Identification of Allosteric Modulators of Metabotropic Glutamate 7 Receptor Using Proteochemometric Modeling
J. Chem. Inf. Model. (2018), In Press, https://doi.org/10.1021/acs.jcim.7b00338
Gary Tresadern, Andres A. Trabanco , Laura Pérez-Benito, John P. Overington, Herman W. T. van Vlijmen, and Gerard J. P. van Westen
|
41 Target and Tissue Selectivity Prediction by Integrated Mechanistic Pharmacokinetic-Target Binding and Quantitative Structure
Activity Modeling
The AAPS Journal (2018), In Press, https://doi.org/10.1208/s12248-017-0172-7
Anna H. C. Vlot, Wilhelmus E. A. de Witte, Meindert Danhof, Piet H. van der Graaf, Gerard J. P. van Westen, Elizabeth C. M. de Lange
|
40 Structural Mapping of Adenosine Receptor Mutations: Ligand Binding and Signaling Mechanisms
TiPS (2018), In Press, https://dx.doi.org/10.1016/j.tips.2017.11.001
Willem Jespers, Anke C. Schiedel, Laura H. Heitman, Robert M. Cooke, Lisa Kleene, Gerard J. P. van Westen, David E. Gloriam, Christa E. Müller,
Eddy Sotelo and Hugo Gutiérrez-de-Terán
|
39 Reduced hepatitis B and D viral entry using clinically applied drugs as novel inhibitors of the bile acid transporter NTCP
Nature Scientific Reports (2017), 7, Article number: 15307, https://10.1038/s41598-017-15338-0
Joanne M. Donkers, Benno Zehnder, Gerard J. P. van Westen, Mark J. Kwakkenbos, Adriaan P. IJzerman, Ronald P. J. Oude Elferink, Ulrich Beuers,
Stephan Urban and Stan F. J. van de Graaf
|
38 Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set
J Cheminf (2017), 9:45 https://10.1186/s13321-017-0232-0
Eelke B. Lenselink, Niels ten Dijke, Brandon Bongers, George Papadatos, Herman W. T. van Vlijmen, Wojtek Kowalczyk, Adriaan P. IJzerman,
and Gerard J. P. van Westen
|
37 High-Throughput Phenotypic Screening of Kinase Inhibitors to Identify Drug Targets for Polycystic Kidney Disease
SLAS Discov. (2017), 22 https://10.1177/2472555217716056
Tijmen H. Booij, Hester Bange, Wouter N. Leonhard, Kuan Yan, Michiel Fokkelman, Steven J. Kunnen, Johannes G. Dauwerse, Yu Qin, Bob van de Water, Gerard J. P. van Westen, Dorien J. M. Peters, and Leo S. Price
|
36 Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening
Brief Bioinform (2016), bbw105, https://doi.org/10.1093/bib/bbw105
Shardul Paricharak, Oscar Méndez-Lucio, Aakash Chavan Ravindranath, Andreas Bender, Adriaan P. IJzerman, and Gerard J. P. van Westen
|
35 Interacting with GPCRs: Using Interaction Fingerprints for Virtual Screening
JCIM (2016), 56, 10, doi: 10.1021/acs.jcim.6b00314
Eelke B. Lenselink, Willem Jespers, Herman W. T. van Vlijmen, Adriaan P. IJzerman, and Gerard J. P. van Westen
|
34 Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound–Kinase Activities: A Way toward Selective Promiscuity by Design?
JCIM (2016), 56, 9, 10.1021/acs.jcim.6b00122
Serge Christmann-Franck, Gerard J. P. van Westen, George Papadatos, Fanny Beltran Escudie, Alexander Roberts, John P. Overington, and Daniel Domine
|
33 Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel
Bioinformatics (2016), 32, 85-95. doi: 10.1093/bioinformatics/btv529., pre-print version available here
Isidro Cortés-Ciriano, Gerard J.P. van Westen, Guillaume Bouvier, Michael Nilges, John P. Overington, Andreas Bender, and Thérèse E. Malliavin
|
32 Chemically Aware Model Builder (camb): An R package for property and bioactivity modelling of small molecules
Journal of Cheminformatics (2015), 7, 45, doi: 10.1186/s13321-015-0086-2
Daniel S. Murrell, Isidro Cortes-Ciriano, Gerard J.P. van Westen, Ian Stott, Andreas Bender, Therese E. Malliavin, and Robert C. Glen
|
31 A large-scale crop protection bioassay data set
Scientific Data (2015), 2, 150032 doi: 10.1038/sdata.2015.32
Anna Gaulton, Namrata Kale, Gerard J.P. van Westen, Louisa J. Bellis, A. Patrícia Bento, Mark Davies, Anne Hersey, George Papadatos, Mark
Forster, Philip Wege, and John P. Overington
|
30 Mycobacterial dihydrofolate reductase inhibitors identified using chemogenomic methods and in vitro validation
PLoS ONE (2015), 10(3) , e0121492 doi: 10.1371/journal.pone.0121492
Grace Mugumbate, Katherine A Abrahams, Jonathan AG Cox, George Papadatos, Gerard JP van Westen, Joel Lelievre, Szymon T Calus, Nick Loman, Lluis
Ballell, David Barros, John P Overington, Gurdyal S Besra
|
29 Optogenetic activation of intracellular adenosine A2A receptor signaling in the hippocampus is sufficient to trigger CREB
phosphorylation and impair memory
Mol. Psychiatry (2015) In press doi:10.1038/mp.2014.182
P Li, D Rial, P M Canas, J-H Yoo, W Li, X Zhou, Y Wang, Gerard JP van Westen, M-P Payen, E Augusto, N Gonçalves, A R Tomé, Z Li, Z Wu, X Hou, Y
Zhou, Adriaan P IJzerman, E S Boyden, R A Cunha, J Qu and J-F Chen
|
28 A community computational challenge to predict the activity of pairs of compounds
Nature Biotech (2014) 32 doi:10.1038/nbt.3052
Mukesh Bansal, Jichen Yang, Charles Karan, Michael P Menden, James C Costello, Hao Tang, Guanghua Xiao,Yajuan Li,Jeffrey Allen,Rui Zhong,Beibei
Chen,Minsoo Kim,Tao Wang,Laura M Heiser,Ronald Realubit,Michela Mattioli,Mariano J Alvarez,Yao Shen, Gerard JP van Westen, NCI-DREAM
Community,Daniel Gallahan,Dinah Singer,Julio Saez-Rodriguez,Yang Xie,Gustavo Stolovitzky, and Andrea Califano
|
27 Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling
J Cheminf (2015) 7 (1) doi:10.1186/s13321-014-0049-z
Isidro Cortes-Ciriano, Daniel S Murrell, Gerard JP van Westen, Andreas Bender, and Thérèse E Malliavin
|
26 Polypharmacology Modelling Using Proteochemometrics (PCM): Recent Methodological Developments, Applications to Target Families, and Future Prospects
MedChemComm (2014) In press doi:10.1039/C4MD00216D
Isidro Cortes-Ciriano, Qurrat ul Ain, Vigneshwari Subramanian, Bart Lenselink, Oscar Mendez-Lucio, Adriaan P. IJzerman, Gerd Wohlfahrt, Peteris Prusis,
Thérèse E Malliavin, Gerard J.P. van Westen, and Andreas Bender
|
25 MyChEMBL: A Virtual Platform for Distributing Cheminformatics Tools and Open Data
Challenges (2014) 5 334-337 doi:10.3390/challe5020334
Mark Davies, Michał Nowotka, George Papadatos, Francis Atkinson, Gerard J. P. van Westen, Nathan Dedman, Rodrigo Ochoa, and John P. Overington
|
24 Modelling ligand selectivity of Serine Proteases using integrative Proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features
Integrative Biology (2014) In Press doi: 10.1039/C4IB00175C
Qurrat U Ain, Oscar Méndez-Lucio, Isidro Cortés Ciriano, Thérèse Malliavin, Gerard J.P. van Westen, and Andreas Bender
|
23 Advances in GPCR Modeling Evaluated by the GPCR Dock 2013 Assessment: Meeting New Challenges
Structure (2014) 22 (8) 1120-1139 doi:10.1016/j.str.2014.06.012
Irina Kufareva, Vsevolod Katritch, Participants of GPCR Dock2013 (Gerard J.P. van Westen), Raymond C. Stevens, Ruben Abagyan
|
22 Domains for activation and inactivation in G protein-coupled receptors–a mutational analysis of constitutive activity of the adenosine A2B receptor
Biochemical Pharmacology (2014) In Press, doi:10.1016/j.bcp.2014.08.022
Miriam C. Peeters, Qilan Li, Rachel Elands, Gerard J.P. van Westen, Eelke B. Lenselink, Christa E. Müller, Adriaan P. IJzerman
|
21 Random Forest ensembles for detection and prediction of Alzheimer's Disease with a good between-cohort robustness
Neuroimage: Clinical (2014) 6 115–125 doi: 10.1016/j.nicl.2014.08.023
Alexander V. Lebedev, Eric Westman, Gerard J.P. Van Westen, Milica G. Kramberger, Arvid Lundervold, Dag Aarsland, Hillka Soininen, Iwona Kłoszewska, Patrizia Mecocci, Magda Tsolaki, Bruno Vellas, Simon Lovestone, Andy Simmons
|
20 A document classifier for medicinal chemistry publications trained on the ChEMBL corpus
Journal of Cheminformatics (2014) 6:40 doi:10.1186/s13321-014-0040-8
George Papadatos, Gerard J.P. van Westen, Samuel Croset, Rita Santos, Simone Trubian and John P. Overington
|
19 Proteochemometric modeling in a Bayesian framework
Journal of Cheminformatics (2014) 6:35 doi:10.1186/1758-2946-6-35
Isidro Cortes-Ciriano, Gerard J.P. van Westen, Eelke Bart Lenselink, Daniel S. Murrell, Andreas Bender and Thérèse Malliavin
|
18 A community effort to assess and improve drug sensitivity prediction algorithms
Nature Biotechnology (2014) in press doi:10.1038/nbt.2877
James C Costello, Laura M Heiser, Elisabeth Georgii, Mehmet Gönen, Michael P Menden, Gerard J. P. van Westen, Julio Saez-Rodriguez, Samuel Kaski, Joe W Gray, Gustavo Stolovitzky, et al
|
17 Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modelling
Journal of Chemical Biology (2014) in press doi:10.1007/s12154-014-0112-2
Gerard J. P. van Westen, Andreas Bender, John P Overington
|
16 Chemical, Target, and Bioactive Properties of Allosteric Modulation
PLoS Computational Biology (2014) 10 (4) e1003559 doi:10.1371/journal.pcbi.1003559
Gerard J. P. van Westen, Anna Gaulton ,John P Overington
|
15 Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets
Journal of Cheminformatics (2013) 5 : 42 doi:10.1186/1758-2946-5-42
Gerard J. P. van Westen, Remco F Swier, Isidro Cortes-Ciriano, Jörg K Wegner,John P Overington,Adriaan P IJzerman, Herman WT van Vlijmen and Andreas Bender
|
14 Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets
Journal of Cheminformatics (2013) 5 : 41 doi:10.1186/1758-2946-5-41
Gerard J. P. van Westen, Remco F Swier, Jörg K Wegner, Adriaan P IJzerman, Herman WT van Vlijmen and Andreas Bender
|
13 Structure-based Identification of OATP1B1/3 Inhibitors
Molecular Pharmacology (2013) 83 , 1257-1267 doi:10.1124/mol.112.084152
Tom De Bruyn, Gerard J. P. van Westen, Adriaan P. IJzerman, Bruno Stieger, Peter de Witte, Patrick F. Augustijns, and Pieter P. Annaert
|
12 A ligand's-eye view of protein similarity
Nature Methods (2013) 10 , 116–117 doi:10.1038/nmeth.2339
Gerard J. P. van Westen and John P. Overington
|
11 Significantly Improved HIV Inhibitor Efficacy Prediction Employing Proteochemometric Models Generated From Antivirogram
Data
PLoS Computational Biology (2013) 9(2): e1002899 Doi: 10.1371/journal.pcbi.1002899
Gerard J. P. van Westen, Alwin Hendriks, Jörg K. Wegner, Adriaan P. IJzerman, Herman W.T. van Vlijmen, and Andreas Bender
|
10 Identifying Novel Adenosine Receptor Ligands by Simultaneous Proteochemometric Modeling of Rat and Human Bioactivity
Data
Journal of Medicinal Chemistry (2012) 55 (16), 7010-7020 Doi: 10.1021/jm3003069
Gerard J. P. van Westen, Olaf O. van den Hoven, Rianne van der Pijl, Thea Mulder-Krieger, Henk de Vries, Jörg K. Wegner, Adriaan P. IJzerman,
Herman W.T. Van Vlijmen, and Andreas Bender
|
9 A Novel Non-ribose Agonist, LUF5834, Engages Distinct Residues from that of Adenosine-like Ligands to Activate the Adenosine
A2A Receptor
Molecular Pharmacology(2012) 81 (3), 475-487 Doi: 10.1124/mol.111.075937
Robert Lane, Carmen Klein Herenbrink, Gerard J. P. van Westen, Jelle A Spoorendonk, Carsten Hoffmann, Adriaan P. IJzerman
|
8 Which Compound to Select in Lead Optimization? Prospectively Validated Proteochemometric Models Guide Preclinical
Development
Pre-print version available on this site, please see Publishers site above.
PLoS ONE (2011) 6 (11), e27518
Gerard J. P. van Westen, Jörg K. Wegner, Peggy Geluykens, Leen Kwanten, Inge Vereycken, Anik Peeters,
Adriaan P. IJzerman, Herman W.T. van Vlijmen and Andreas Bender
|
7 Three “hotspots” important for adenosine A2B receptor activation: a mutational analysis of transmembrane domains 4 and 5 and the second extracellular loop
Purinergic Signalling(2011) 8 (1), 23-38 DOI: 10.1007/s11302-011-9251-x
Miriam C. Peeters, Qilan Li,Gerard J. P. van Westen, Adriaan P. IJzerman
|
6 GPCR structure and activation: an essential role for the first extracellular loop in activating the adenosine A2B receptor
FASEB Journal (2011) 25 (2),632-643 PMID: 21030693
Miriam C. Peeters,Gerard J. P. van Westen, Dong Guo, Lisanne. E. Wisse, Christa. E. Müller, Margot W. Beukers, Adriaan P. IJzerman
|
5 The importance of the extracellular loops in G protein-coupled receptors for ligand recognition and receptor activation
Trends in Pharmacological Sciences (2011) 32 (1), 35-42 PMID: 21075459
Miriam C. Peeters, Gerard J. P. van Westen, Qilan Li, Adriaan P. IJzerman
|
4 Proteochemometric Modeling as a Tool to Design Selective Compounds and for Extrapolating to Novel Targets
Medicinal Chemistry Communications (2011) 2, 16-30
Gerard J. P. van Westen, Jörg K.
Wegner, Adriaan P. IJzerman, Herman W. T. van Vlijmen, Andreas Bender
|
3 ChemogenomicsApproaches for Receptor Deorphanization and Extensions of the Chemogenomics Concept to Phenotypic Space
Pre-print version available on this site, please see Publishers site above.
Current Topics in Medicinal Chemistry (2011) 11 (15), 1964-1977, PMID: 21470175
Eelke van der Horst, Julio E. Peironcely, Gerard J. P. van Westen, Olaf O. van den Hoven, Warren R. J. D. Galloway, David R. Spring, Joerg K. Wegner,
Herman W. T. van Vlijmen, Ad P. IJzerman, John P. Overington and Andreas Bender
|
2 Mining protein dynamics from sets of crystal structures using "consensus structures"
Pre-print version available on this site, please see Publishers site above.
Protein Science (2010) 19 (4), 742-752, PMID: 20120021
Gerard J. P. van Westen, Jörg K.
Wegner,
Andreas Bender, Adriaan P. IJzerman, Herman W. T. van Vlijmen
|
1 Chemogenomics: Looking at biology through the lens of
chemistry
Statistical
Analysis and Data Mining (2009) 2 (3), 149 - 160
Munikumar R. Doddareddy, Gerard J.
P. van Westen, Eelke van der Horst, Julio E. Peironcely,
Frans Corthals,
Adriaan P. Ijzerman, Michael Emmerich,
Jeremy L. Jenkins, Andreas Bender
|
|
 Updating...
Ċ Gerard JP van Westen, Nov 6, 2018, 3:24 AM
Ċ Gerard JP van Westen, Aug 16, 2012, 1:11 PM
Ċ Gerard JP van Westen, May 27, 2016, 6:48 AM
Ċ Gerard JP van Westen, Aug 16, 2012, 1:21 PM
Ċ Gerard JP van Westen, Aug 16, 2012, 1:33 PM
|