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Joel Karpiak
Joel Karpiak
Head of Protein Design & Informatics, GlaxoSmithKline
Verified email at gsk.com
Title
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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
2542017
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
2502015
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
1672012
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
1522018
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
1112021
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
992010
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
912010
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
In silico analysis of the binding of agonists and blockers to the β2-adrenergic receptor
S Vilar, J Karpiak, B Berk, S Costanzi
Journal of Molecular Graphics and Modelling 29 (6), 809-817, 2011
602011
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
562010
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
362018
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
292015
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
272014
Structural basis of the selectivity of the β2-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
ESMFold hallucinates native-like protein sequences
JR Jeliazkov, D del Alamo, JD Karpiak
bioRxiv, 2023.05. 23.541774, 2023
52023
Artificial intelligence drives the digital transformation of pharma
S Harrer, J Menard, M Rivers, DVS Green, J Karpiak, JR Jeliazkov, ...
Artificial Intelligence in Clinical Practice, 345-372, 2024
22024
ProteinRL: Reinforcement learning with generative protein language models for property-directed sequence design
M Sternke, J Karpiak
NeurIPS 2023 Generative AI and Biology (GenBio) Workshop, 2023
12023
Conformational sampling and interpolation using language-based protein folding neural networks
D del Alamo, JR Jeliazkov, D Truan, J Karpiak
bioRxiv, 2023.12. 16.571997, 2023
2023
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
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Articles 1–20