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Author Details

Brian K Shoichet
Department of Pharmaceutical Chemistry, University of California san francisco
1989
262
94
Trey Ideker (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
37745391Structure-based discovery of CFTR potentiators and inhibitors.bioRxiv2024
37745391Structure-based discovery of CFTR potentiators and inhibitors.bioRxiv2024
36302898Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.Nat Chem Biol2023
36302898Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.Nat Chem Biol2023
37758692Proteomic and genetic analyses of influenza A viruses identify pan-viral host targets.Nat Commun2023
37943911Preparing for the next pandemic.Science2023
37573365Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.Nat Commun2023
37790438Cryo-EM structure of Alzheimer's disease tau filaments with PET ligand MK-6240.bioRxiv2023
37961552Colloidal aggregation confounds cell-based Covid-19 antiviral screens.bioRxiv2023
38057319Docking for EP4R antagonists active against inflammatory pain.Nat Commun2023
37961414Docking for molecules that bind in a symmetric stack with SymDOCK.bioRxiv2023
36905240Synthetic Ionizable Colloidal Drug Aggregates Enable Endosomal Disruption.Adv Sci (Weinh)2023
36646956Modeling the expansion of virtual screening libraries.Nat Chem Biol2023
37294077Structure-Based Discovery of Inhibitors of the SARS-CoV-2 Nsp14 N7-Methyltransferase.J Med Chem2023
36604514Fluorogenic reporter enables identification of compounds that inhibit SARS-CoV-2.Nat Microbiol2023
37354015Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.Protein Sci2023
37758692Proteomic and genetic analyses of influenza A viruses identify pan-viral host targets.Nat Commun2023
37961552Colloidal aggregation confounds cell-based Covid-19 antiviral screens.bioRxiv2023
37961414Docking for molecules that bind in a symmetric stack with SymDOCK.bioRxiv2023
37790438Cryo-EM structure of Alzheimer's disease tau filaments with PET ligand MK-6240.bioRxiv2023
38057319Docking for EP4R antagonists active against inflammatory pain.Nat Commun2023
37943911Preparing for the next pandemic.Science2023
37573365Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.Nat Commun2023
37354015Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.Protein Sci2023
37294077Structure-Based Discovery of Inhibitors of the SARS-CoV-2 Nsp14 N7-Methyltransferase.J Med Chem2023
36646956Modeling the expansion of virtual screening libraries.Nat Chem Biol2023
36604514Fluorogenic reporter enables identification of compounds that inhibit SARS-CoV-2.Nat Microbiol2023
36905240Synthetic Ionizable Colloidal Drug Aggregates Enable Endosomal Disruption.Adv Sci (Weinh)2023
35195401Structure-Based Design of a Chemical Probe Set for the 5-HT<sub>5A</sub> Serotonin Receptor.J Med Chem2022
36173843Structure-based discovery of nonopioid analgesics acting through the α<sub>2A</sub>-adrenergic receptor.Science2022
36171289Bespoke library docking for 5-HT<sub>2A</sub> receptor agonists with antidepressant activity.Nature2022
35835867Inactive and active state structures template selective tools for the human 5-HT<sub>5A</sub> receptor.Nat Struct Mol Biol2022
35195401Structure-Based Design of a Chemical Probe Set for the 5-HT<sub>5A</sub> Serotonin Receptor.J Med Chem2022
35169791Identification of a conserved drug binding pocket in TMEM16 proteins.Res Sq2022
34887579Publisher Correction: A practical guide to large-scale docking.Nat Protoc2022
35835867Inactive and active state structures template selective tools for the human 5-HT<sub>5A</sub> receptor.Nat Struct Mol Biol2022
36173843Structure-based discovery of nonopioid analgesics acting through the α<sub>2A</sub>-adrenergic receptor.Science2022
36171289Bespoke library docking for 5-HT<sub>2A</sub> receptor agonists with antidepressant activity.Nature2022
34887579Publisher Correction: A practical guide to large-scale docking.Nat Protoc2022
35169791Identification of a conserved drug binding pocket in TMEM16 proteins.Res Sq2022
34326236Drug-induced phospholipidosis confounds drug repurposing for SARS-CoV-2.Science2021
33853786Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.Sci Adv2021
33791693Phospholipidosis is a shared mechanism underlying the in vitro antiviral activity of many repurposed drugs against SARS-CoV-2.bioRxiv2021
33761256A Crowding Barrier to Protein Inhibition in Colloidal Aggregates.J Med Chem2021
34326236Drug-induced phospholipidosis confounds drug repurposing for SARS-CoV-2.Science2021
33494610Property-Unmatched Decoys in Docking Benchmarks.J Chem Inf Model2021
34467754Ligand Strain Energy in Large Library Docking.J Chem Inf Model2021
34789874Structure, function and pharmacology of human itch GPCRs.Nature2021
34561691A practical guide to large-scale docking.Nat Protoc2021
34494023Colloidal aggregators in biochemical SARS-CoV-2 repurposing screens.bioRxiv2021
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Collaborators

John J Irwin
Department of Pharmaceutical Chemistry, University of California san francisco
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Bryan L Roth
UNC Chapel Hill School of Medicine
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Frank M Raushel
Texas A&M University, College Station
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Xi-Ping Huang
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Andrej Sali (CM4AI)
University of California San Francisco
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Michael J Keiser
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Steven C Almo
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Jiankun Lyu
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Cardiovascular Research Institute, University of California San Francisco
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Tia A Tummino
Quantitative Biosciences Institute (QBI), University of California San Francisco
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Peter Kolb
Institut fur Pharmazeutische Chemie, Philipps-Universitat Marburg
Co-authored papers 7
Henry Lin
Department of Pharmaceutical Chemistry, University of California san francisco
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Beth M Beadle
Stanford University
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Nevan J Krogan (CM4AI)
University of California San Francisco
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Kathleen M Giacomini
University of California San Francisco
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Veronica V Rezelj
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Jian Jin
Union Hospital, Tongji Medical College, Huazhong University of Science and Technology
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Adolfo Garc??a-Sastre
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Matthew P Jacobson
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Release 1.2