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Author Details

Jiankun Lyu
Department of Pharmaceutical Chemistry, University of California san francisco
2015
17
12
Trey Ideker (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
36646956Modeling the expansion of virtual screening libraries.Nat Chem Biol2023
37354015Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.Protein Sci2023
34887579Publisher Correction: A practical guide to large-scale docking.Nat Protoc2022
34326236Drug-induced phospholipidosis confounds drug repurposing for SARS-CoV-2.Science2021
33494610Property-Unmatched Decoys in Docking Benchmarks.J Chem Inf Model2021
33791693Phospholipidosis is a shared mechanism underlying the in vitro antiviral activity of many repurposed drugs against SARS-CoV-2.bioRxiv2021
34880501Structures of the Ï¿<sub>2</sub> receptor enable docking for bioactive ligand discovery.Nature2021
34561691A practical guide to large-scale docking.Nat Protoc2021
32353859A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.Nature2020
32946782Structure of a Hallucinogen-Activated Gq-Coupled 5-HT<sub>2A</sub> Serotonin Receptor.Cell2020
30728502Ultra-large library docking for discovering new chemotypes.Nature2019
29906114Design, Synthesis, and Biological Evaluation of Pyrimido[4,5- d]pyrimidine-2,4(1 H,3 H)-diones as Potent and Selective Epidermal Growth Factor Receptor (EGFR) Inhibitors against L858R/T790M Resistance Mutation.J Med Chem2018
29990431Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets.J Med Chem2018
28630494Structure-Guided Design of C4-alkyl-1,4-dihydro-2H-pyrimido[4,5-d][1,3]oxazin-2-ones as Potent and Mutant-Selective Epidermal Growth Factor Receptor (EGFR) L858R/T790M Inhibitors.Sci Rep2017
27266526Discovery and Rational Design of Pteridin-7(8H)-one-Based Inhibitors Targeting FMS-like Tyrosine Kinase 3 (FLT3) and Its Mutants.J Med Chem2016
27533458Discovery of peptide inhibitors targeting human programmed death 1 (PD-1) receptor.Oncotarget2016
26211460Antiproliferative and apoptosis-inducing activities of novel naphthalimide-cyclam conjugates through dual topoisomerase (topo) I/II inhibition.Bioorg Med Chem2015
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Collaborators

Brian K Shoichet
Department of Pharmaceutical Chemistry, University of California san francisco
Co-authored papers 12
John J Irwin
Department of Pharmaceutical Chemistry, University of California san francisco
Co-authored papers 7
Bryan L Roth
UNC Chapel Hill School of Medicine
Co-authored papers 5
Matthew J O'Meara
University of Michigan ann arbor
Co-authored papers 5
Kris M White
Quantitative Biosciences Institute (QBI) Coronavirus Research Group (QCRG)
Co-authored papers 4
Adolfo Garc??a-Sastre
Icahn School of Medicine at Mount Sinai
Co-authored papers 4
Tia A Tummino
Quantitative Biosciences Institute (QBI), University of California San Francisco
Co-authored papers 4
Nevan J Krogan (CM4AI)
University of California San Francisco
Co-authored papers 3
Olivier Schwartz
Institut Pasteur, Universite Paris Cite, CNRS UMR9
Co-authored papers 3
Veronica V Rezelj
Quantitative Biosciences Institute (QBI) Coronavirus Research Group (QCRG)
Co-authored papers 3
Thomas Vallet
Institut Pasteur, Center for the Viral Populations and Pathogenesis
Co-authored papers 3
Andrew C Kruse
Blavatnik Institute, Harvard Medical School
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Xi-Ping Huang
University of North Carolina School of Medicine
Co-authored papers 3
Assaf Alon
Harvard Medical School
Co-authored papers 3
Kevan M Shokat
University of California San Francisco
Co-authored papers 3
Marco Vignuzzi
Quantitative Biosciences Institute (QBI) Coronavirus Research Group (QCRG)
Co-authored papers 3
Audrey Fischer
Department of Preclinical Safety, Novartis Institutes for BioMedical Research
Co-authored papers 2
Jens Carlsson
Uppsala University
Co-authored papers 2
Heiko S Schadt
Novartis Institutes for BioMedical Research, Novartis Pharma AG
Co-authored papers 2
Charles S Craik
Department of Pharmaceutical Chemistry, University of California san francisco
Co-authored papers 2
Blandine Monel
Institut Pasteur, CNRS UMR 3569
Co-authored papers 2
Francois Pognan
Novartis
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Laszlo Urban
Matrahaza University and Teaching Hospital
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Jack Taunton
University of California san francisco
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Danish Memon
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Davide Ruggero
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