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Joel Karpiak
Joel Karpiak
Head of Protein Design & Informatics, GlaxoSmithKline
Verified email at gsk.com
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Cited by
Year
In silico design of novel probes for the atypical opioid receptor MRGPRX2
K Lansu, J Karpiak, J Liu, XP Huang, JD McCorvy, WK Kroeze, T Che, ...
Nature chemical biology 13 (5), 529-536, 2017
2202017
Allosteric ligands for the pharmacologically dark receptors GPR68 and GPR65
XP Huang, J Karpiak, WK Kroeze, H Zhu, X Chen, SS Moy, KA Saddoris, ...
Nature 527 (7579), 477-483, 2015
2132015
Structure-based ligand discovery for the protein–protein interface of chemokine receptor CXCR4
MM Mysinger, DR Weiss, JJ Ziarek, S Gravel, AK Doak, J Karpiak, ...
Proceedings of the National Academy of Sciences 109 (14), 5517-5522, 2012
1582012
Structure-inspired design of β-arrestin-biased ligands for aminergic GPCRs
JD McCorvy, KV Butler, B Kelly, K Rechsteiner, J Karpiak, RM Betz, ...
Nature chemical biology 14 (2), 126-134, 2018
1262018
Structural basis of G protein–coupled receptor–G protein interactions
J Hu, Y Wang, X Zhang, JR Lloyd, JH Li, J Karpiak, S Costanzi, J Wess
Nature chemical biology 6 (7), 541-548, 2010
972010
Design, synthesis, crystal structures, and antimicrobial activity of sulfonamide boronic acids as β-lactamase inhibitors
O Eidam, C Romagnoli, E Caselli, K Babaoglu, DT Pohlhaus, J Karpiak, ...
Journal of medicinal chemistry 53 (21), 7852-7863, 2010
882010
Actin is required for IFT regulation in Chlamydomonas reinhardtii
P Avasthi, M Onishi, J Karpiak, R Yamamoto, L Mackinder, MC Jonikas, ...
Current Biology 24 (17), 2025-2032, 2014
662014
Structure, function and pharmacology of human itch GPCRs
C Cao, HJ Kang, I Singh, H Chen, C Zhang, W Ye, BW Hayes, J Liu, ...
Nature 600 (7887), 170-175, 2021
642021
In silico analysis of the binding of agonists and blockers to the β 2-adrenergic receptor
S Vilar, J Karpiak, B Berk, S Costanzi
Journal of Molecular Graphics and Modelling 29 (6), 809-817, 2011
592011
Ligand and structure‐based models for the prediction of ligand‐receptor affinities and virtual screenings: Development and application to the β2‐adrenergic receptor
S Vilar, J Karpiak, S Costanzi
Journal of computational chemistry 31 (4), 707-720, 2010
522010
Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets
DR Weiss, J Karpiak, XP Huang, MF Sassano, J Lyu, BL Roth, ...
Journal of medicinal chemistry 61 (15), 6830-6845, 2018
322018
Small-molecule allosteric modulators of the protein kinase PDK1 from structure-based docking
TJ Rettenmaier, H Fan, J Karpiak, A Doak, A Sali, BK Shoichet, JA Wells
Journal of medicinal chemistry 58 (20), 8285-8291, 2015
252015
Quantification of the transferability of a designed protein specificity switch reveals extensive epistasis in molecular recognition
C Melero, N Ollikainen, I Harwood, J Karpiak, T Kortemme
Proceedings of the National Academy of Sciences 111 (43), 15426-15431, 2014
242014
Structural basis of the selectivity of the β 2-adrenergic receptor for fluorinated catecholamines
C Pooput, E Rosemond, J Karpiak, F Deflorian, S Vilar, S Costanzi, ...
Bioorganic & medicinal chemistry 17 (23), 7987-7992, 2009
172009
Designing for developability: Machine learning in data-driven drug discovery
J Karpiak
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
Challenges and opportunities in structure-based discovery for GPCR targets and antitargets
J Karpiak, D Weiss, XP Huang, M Sassano, B Shoichet, B Roth
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018
2018
Shooting in the dark: Strategies for discovering magic bullets and magic shotguns for orphan GPCRs
JD Karpiak
UCSF, 2015
2015
Teach-Discover-Treat 2014, part 3: Molecular docking with DOCK 3.7
J Karpiak, RG Coleman
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014
2014
G-protein coupled receptors in virtual screening: Functional fidelity and selectivity
DR Weiss, SK Ahn, MF Sassano, AC Kruse, J Karpiak, BL Roth, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013
2013
Crosslinking Analysis of the M3 Muscarinic Acetylcholine Receptor/G alpha q Interface in Both the Inactive and Active States
J Hu, Y Wang, X Zhang, JR Lloyd, J Li, J Karpiak, S Costanzi, J Wess
The FASEB Journal 24, lb479-lb479, 2010
2010
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