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 | 258 | 2015 |
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 | 255 | 2017 |
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 | 167 | 2012 |
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 | 155 | 2018 |
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 | 113 | 2021 |
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 | 99 | 2010 |
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 | 91 | 2010 |
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 | 66 | 2014 |
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 | 60 | 2011 |
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 | 56 | 2010 |
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 | 37 | 2018 |
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 | 29 | 2015 |
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 | 27 | 2014 |
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 | 17 | 2009 |
ESMFold hallucinates native-like protein sequences JR Jeliazkov, D del Alamo, JD Karpiak bioRxiv, 2023.05. 23.541774, 2023 | 6 | 2023 |
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 | 2 | 2024 |
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 | 1 | 2023 |
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 |