@article{https://authors.library.caltech.edu/records/wq41s-8t965, title = "The atomistic Mechanism Underlying Regulation of the GPA1 G Protein Signaling Pathway Mediated by Abscisic Acid (ABA) Phytohormone Binding to the GCR1 Plant G Protein Coupled Receptor", journal = "Journal of Chemical Information and Modeling", year = "2026", url = "https://authors.library.caltech.edu/records/wq41s-8t965", id = "record", issn = "1549-9596", doi = "10.1021/acs.jcim.5c02308", volume = "66", pmcid = "PMC13080986" } @article{https://authors.library.caltech.edu/records/32bqb-47283, title = "Predicted molecules followed by experimental validation for protecting human neurons from oxidative stress–induced cytotoxicity", journal = "Proceedings of the National Academy of Sciences", year = "2025", url = "https://authors.library.caltech.edu/records/32bqb-47283", id = "record", issn = "0027-8424", doi = "10.1073/pnas.2505359122", volume = "122", pmcid = "PMC12625973" } @article{https://authors.library.caltech.edu/records/ddbe2-mzt46, title = "Metabotropic GABAB Receptor Activation Induced by G Protein Coupling", journal = "Journal of the American Chemical Society", year = "2025", url = "https://authors.library.caltech.edu/records/ddbe2-mzt46", id = "record", issn = "0002-7863", doi = "10.1021/jacs.4c14672", volume = "147" } @article{https://authors.library.caltech.edu/records/92wq3-sb827, title = "Agonist activation to open the Gα subunit of the GPCR–G protein precoupled complex defines functional agonist activation of TAS2R5", journal = "Proceedings of the National Academy of Sciences", year = "2024", url = "https://authors.library.caltech.edu/records/92wq3-sb827", id = "record", issn = "0027-8424", doi = "10.1073/pnas.2409987121", volume = "121" } @article{https://authors.library.caltech.edu/records/50h4n-d5n39, title = "Experimental Validation of the Neurotrophic Factor-α1 Binding Site on the Serotonin Receptor 1E (HTR1E) Responsible for 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"record", issn = "1520-6106", doi = "10.1021/acs.jpcb.4c04610", volume = "128" } @article{https://authors.library.caltech.edu/records/c4r6a-mwp15, title = "Methotrexate Inhibits the Binding of the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) Receptor Binding Domain to the Host-Cell Angiotensin-Converting Enzyme-2 (ACE-2) Receptor", journal = "ACS Pharmacology \& Translational Science", year = "2024", url = "https://authors.library.caltech.edu/records/c4r6a-mwp15", id = "record", issn = "2575-9108", doi = "10.1021/acsptsci.3c00197", volume = "7", pmcid = "PMC10863433" } @article{https://authors.library.caltech.edu/records/cg015-2w030, title = "Fully activated structure of the sterol-bound Smoothened GPCR-Gi protein complex", journal = "Proceedings of the National Academy of Sciences", year = "2023", url = "https://authors.library.caltech.edu/records/cg015-2w030", id = "record", issn = "0027-8424", doi = "10.1073/pnas.2300919120", volume = "120", pmcid = "PMC10710022" } @article{https://authors.library.caltech.edu/records/w4sp9-ryv31, title = "Discovery of 3-Phenyl Indazole-Based Novel Chemokine-like Receptor 1 Antagonists for the Treatment of Psoriasis", journal = "Journal of Medicinal Chemistry", year = "2023", url = "https://authors.library.caltech.edu/records/w4sp9-ryv31", id = "record", issn = "0022-2623", doi = "10.1021/acs.jmedchem.3c01011", volume = "66" } @article{https://authors.library.caltech.edu/records/s0zet-jvy58, title = "Structure and Molecular Mechanism of Signaling for the Glucagon-like Peptide-1 Receptor Bound to Gs Protein and Exendin-P5 Biased Agonist", journal = "Journal of the American Chemical Society", year = "2023", url = "https://authors.library.caltech.edu/records/s0zet-jvy58", id = "record", issn = "0002-7863", doi = "10.1021/jacs.3c05996", volume = "145", pmcid = "PMC10777869" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230630-524959000.9, title = "The dynamics of agonist-β₂-adrenergic receptor activation induced by binding of GDP-bound Gs protein", journal = "Nature Chemistry", year = "2023", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230630-524959000.9", id = "record", issn = "1755-4330", doi = "10.1038/s41557-023-01238-6" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230530-441187700.12, title = "Stereochemical engineering yields a multifunctional peptide macrocycle inhibitor of Akt2 by fine-tuning macrocycle-cell membrane interactions", journal = "Communications Chemistry", year = "2023", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230530-441187700.12", id = "record", issn = "2399-3669", doi = "10.1038/s42004-023-00890-w", volume = "6", pmcid = "PMC10195864" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230519-1707000.18, title = "Predicted structure and cell signaling of TAS2R14 reveal receptor hyper-flexibility for detecting diverse bitter tastes", journal = "iScience", year = "2023", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230519-1707000.18", id = "record", issn = "2589-0042", doi = "10.1016/j.isci.2023.106422", volume = "26", pmcid = "PMC10121769" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230420-612616000.1, title = "Discovery and Binding Mechanism of Pyrazoloisoquinoline-Based Novel β-Arrestin Inverse Agonists of the Kappa-Opioid Receptor", journal = "Journal of Medicinal Chemistry", year = "2023", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230420-612616000.1", id = "record", issn = "0022-2623", doi = "10.1021/acs.jmedchem.3c00064", volume = "66" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230607-202651553, title = "Predicted Three-Dimensional Structure of the GCR1 Putative GPCR in Arabidopsis thaliana and Its Binding to Abscisic Acid and Gibberellin A1", journal = "Journal of Agricultural and Food Chemistry", year = "2023", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230607-202651553", id = "record", issn = "1520-5118", doi = "10.1021/acs.jafc.2c06846", volume = "71" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230607-171926973, title = "Intermediate-state-trapped mutants pinpoint G protein-coupled receptor conformational allostery", journal = "Nature Communications", year = "2023", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230607-171926973", id = "record", issn = "2041-1723", doi = "10.1038/s41467-023-36971-6", volume = "14", pmcid = "PMC10006191" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230315-645491100.11, title = "Correction to: Novel interaction between neurotrophic factor-α1/carboxypeptidase E and serotonin receptor, 5-HTR1E, protects human neurons against oxidative/neuroexcitotoxic stress via β-arrestin/ERK signaling", journal = "Cellular and Molecular Life Sciences", year = "2023", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230315-645491100.11", id = "record", issn = "1420-682X", doi = "10.1007/s00018-023-04711-0", volume = "80", pmcid = "PMC9941249" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220808-223815000, title = "G protein coupling and activation of the metabotropic GABA₈ heterodimer", journal = "Nature Communications", year = "2022", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220808-223815000", id = "record", issn = "2041-1723", doi = "10.1038/s41467-022-32213-3", volume = "13", pmcid = "PMC9360005" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220425-841878300, title = "The mechanism for ligand activation of the GPCR–G protein complex", journal = "Proceedings of the National Academy of Sciences of the United States of America", year = "2022", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220425-841878300", id = "record", issn = "0027-8424", doi = "10.1073/pnas.2110085119", volume = "119", pmcid = "PMC9170043" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220112-355642683, title = "Complete inhibition of a polyol nucleation by a micromolar biopolymer additive", journal = "Cell Reports Physical Science", year = "2022", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220112-355642683", id = "record", issn = "2666-3864", doi = "10.1016/j.xcrp.2021.100723", volume = "3", pmcid = "PMC8903182" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220117-235720695, title = "Novel interaction between neurotrophic factor-α1/carboxypeptidase E and serotonin receptor, 5-HTR1E, protects human neurons against oxidative/neuroexcitotoxic stress via β-arrestin/ERK signaling", journal = "Cellular and Molecular Life Sciences", year = "2022", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220117-235720695", id = "record", issn = "1420-9071", doi = "10.1007/s00018-021-04021-3", volume = "79", pmcid = "PMC8732845" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20211008-224624888, title = "Synergic Effects in the Activation of the Sweet Receptor GPCR Heterodimer for Various Sweeteners Predicted Using Molecular Metadynamics Simulations", journal = "Journal of Agricultural and Food Chemistry", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20211008-224624888", id = "record", issn = "0021-8561", doi = "10.1021/acs.jafc.1c03779", volume = "69" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20211013-173908475, title = "Predicted Structure of Fully Activated Tas1R3/1R3′ Homodimer Bound to G Protein and Natural Sugars: Structural Insights into G Protein Activation by a Class C Sweet Taste Homodimer with Natural Sugars", journal = "Journal of the American Chemical Society", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20211013-173908475", id = "record", issn = "0002-7863", doi = "10.1021/jacs.1c08839", volume = "143" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20211008-224623544, title = "Structures and Agonist Binding Sites of Bitter Taste Receptor TAS2R5 Complexed with Gi Protein and Validated against Experiment", journal = "Journal of Physical Chemistry Letters", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20211008-224623544", id = "record", issn = "1948-7185", doi = "10.1021/acs.jpclett.1c02162", volume = "12", pmcid = "PMC8650975" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20211019-181528901, title = "The G protein-first activation mechanism of opioid receptors by Gi protein and agonists", journal = "QRB Discovery", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20211019-181528901", id = "record", issn = "2633-2892", doi = "10.1017/qrd.2021.7", volume = "2", pmcid = "PMC10392629" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20210606-012523434, title = "Predicted structure of fully activated human bitter taste receptor TAS2R4 complexed with G protein and agonists", journal = "QRB Discovery", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210606-012523434", id = "record", issn = "2633-2892", doi = "10.1017/qrd.2021.1", volume = "2", pmcid = "PMC10392674" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20210301-120802550, title = "Hedgehog proteins create a dynamic cholesterol interface", journal = "PLoS ONE", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210301-120802550", id = "record", issn = "1932-6203", doi = "10.1371/journal.pone.0246814", volume = "16" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20200630-070330108, title = "Mechanism of β-arrestin recruitment by the μ-opioid G protein-coupled receptor", journal = "Proceedings of the National Academy of Sciences of the United States of America", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200630-070330108", id = "record", issn = "0027-8424", doi = "10.1073/pnas.1918264117", volume = "117", pmcid = "PMC7368253" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20201009-133620451, title = "Extracellular interaction between Neurotrophic factor-α1 and HTR1E serotonin receptor promotes cell survival", journal = "FASEB Journal", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20201009-133620451", id = "record", issn = "0892-6638", doi = "10.1096/fasebj.2020.34.s1.01952", volume = "34" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20200304-085059535, title = "The atomistic level structure for the activated human κ-opioid receptor bound to the full Gi protein and the MP1104 agonist", journal = "Proceedings of the National Academy of Sciences of the United States of America", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200304-085059535", id = "record", issn = "0027-8424", doi = "10.1073/pnas.1910006117", volume = "117", pmcid = "PMC7084096" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20190731-131005491, title = "Discovery of Novel Biased Opioid Receptor Ligands through Structure-Based Pharmacophore Virtual Screening and Experiment", journal = "ChemMedChem", year = "2019", url = "https://resolver.caltech.edu/CaltechAUTHORS:20190731-131005491", id = "record", issn = "1860-7179", doi = "10.1002/cmdc.201900418", volume = "14" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20171222-091716111, title = "The Predicted 3D Structure of Human DP Prostaglandin G Protein-Coupled Receptor Bound to CPI Antagonist", journal = "Journal of Chemical Theory and Computation", year = "2018", url = "https://resolver.caltech.edu/CaltechAUTHORS:20171222-091716111", id = "record", issn = "1549-9618", doi = "10.1021/acs.jctc.7b00842", volume = "14" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20170223-110325516, title = "Activation mechanism of the G protein-coupled sweet receptor heterodimer with sweeteners and allosteric agonists", journal = "Proceedings of the National Academy of Sciences of the United States of America", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20170223-110325516", id = "record", issn = "0027-8424", doi = "10.1073/pnas.1700001114", volume = "114", pmcid = "PMC5347580" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20160526-095348614, title = "Antifreeze proteins govern the precipitation of trehalose in a freezing-avoiding insect at low temperature", journal = "Proceedings of the National Academy of Sciences of the United States of America", year = "2016", url = "https://resolver.caltech.edu/CaltechAUTHORS:20160526-095348614", id = "record", issn = "0027-8424", doi = "10.1073/pnas.1601519113", volume = "113", pmcid = "PMC4914155" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20160412-130650913, title = "Homology modeling and molecular docking studies of Drosophila and Aedes sex peptide receptors", journal = "Journal of Molecular Graphics and Modelling", year = "2016", url = "https://resolver.caltech.edu/CaltechAUTHORS:20160412-130650913", id = "record", issn = "1093-3263", doi = "10.1016/j.jmgm.2016.03.014", volume = "66" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20150615-153012612, title = "G Protein-Coupled Odorant Receptors: from sequence to structure", journal = "Protein Science", year = "2015", url = "https://resolver.caltech.edu/CaltechAUTHORS:20150615-153012612", id = "record", issn = "0961-8368", doi = "10.1002/pro.2717", volume = "24", pmcid = "PMC4570547" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20150424-110101348, title = "Predicted Structures for Kappa Opioid G‑Protein Coupled Receptor Bound to Selective Agonists", journal = "Journal of Chemical Information and Modeling", year = "2015", url = "https://resolver.caltech.edu/CaltechAUTHORS:20150424-110101348", id = "record", issn = "1549-9596", doi = "10.1021/ci500523z", volume = "55" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20150414-145753489, title = "Deciphering the odorant binding protein - olfactory receptor interactions", journal = "Chemical Senses", year = "2015", url = "https://resolver.caltech.edu/CaltechAUTHORS:20150414-145753489", id = "record", issn = "0379-864X", doi = "10.1093/chemse/bju073", volume = "40" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20140925-084238832, title = "Predicted 3D structures of olfactory receptors with details of odorant binding to OR1G1", journal = "Journal of Computer-Aided Molecular Design", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20140925-084238832", id = "record", issn = "0920-654X", doi = "10.1007/s10822-014-9793-4", volume = "28" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20150324-151114866, title = "Probing the binding of antifreeze proteins to trehalose crystals", journal = "Abstracts of Papers of the American Chemical Society", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20150324-151114866", id = "record", issn = "0065-7727", volume = "248" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20130108-114918088, title = "How broadly tuned olfactory receptors equally recognize their agonists. Human OR1G1 as a test case", journal = "Cellular and Molecular Life Sciences", year = "2012", url = "https://resolver.caltech.edu/CaltechAUTHORS:20130108-114918088", id = "record", issn = "1420-682X", doi = "10.1007/s00018-012-1116-0", volume = "69", pmcid = "PMC11115053" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20120227-133905808, title = "Characterizing and predicting the functional and conformational diversity of seven-transmembrane proteins", journal = "Methods", year = "2011", url = "https://resolver.caltech.edu/CaltechAUTHORS:20120227-133905808", id = "record", issn = "1046-2023", doi = "10.1016/j.ymeth.2011.12.005", volume = "55", pmcid = "PMC3286597" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20120123-110139308, title = "Structure-Based Prediction of Subtype Selectivity of Histamine H\_3 Receptor Selective Antagonists in Clinical Trials", journal = "Journal of Chemical Information and Modeling", year = "2011", url = "https://resolver.caltech.edu/CaltechAUTHORS:20120123-110139308", id = "record", issn = "1549-9596", doi = "10.1021/ci200435b", volume = "51", pmcid = "PMC3246544" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20110601-091219051, title = "Predicted structures of agonist and antagonist bound complexes of adenosine A\_3 receptor", journal = "Proteins", year = "2011", url = "https://resolver.caltech.edu/CaltechAUTHORS:20110601-091219051", id = "record", issn = "0887-3585", doi = "10.1002/prot.23012", volume = "79", pmcid = "PMC3092833" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20110329-102438454, title = "Predicted Structures and Dynamics for Agonists and Antagonists Bound to Serotonin 5-HT2B and 5-HT2C Receptors", journal = "Journal of Chemical Information and Modeling", year = "2011", url = "https://resolver.caltech.edu/CaltechAUTHORS:20110329-102438454", id = "record", issn = "1549-9596", doi = "10.1021/ci100375b", volume = "51", pmcid = "PMC3070210" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20101026-081332237, title = "Prediction of the Three-Dimensional Structure for the Rat Urotensin II Receptor, and Comparison of the Antagonist Binding Sites and Binding Selectivity between Human and Rat Receptors from Atomistic Simulations", journal = "ChemMedChem", year = "2010", url = "https://resolver.caltech.edu/CaltechAUTHORS:20101026-081332237", id = "record", issn = "1860-7179", doi = "10.1002/cmdc.201000175", volume = "5", pmcid = "PMC3517062" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20100407-143528745, title = "Predicted 3D structures for adenosine receptors bound to ligands: Comparison to the crystal structure", journal = "Journal of Structural Biology", year = "2010", url = "https://resolver.caltech.edu/CaltechAUTHORS:20100407-143528745", id = "record", issn = "1047-8477", doi = "10.1016/j.jsb.2010.01.001", volume = "170" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20090922-131933657, title = "A spatially resolved study of photoelectric heating and [C II] cooling in the LMC", journal = "Astronomy and Astrophysics", year = "2009", url = "https://resolver.caltech.edu/CaltechAUTHORS:20090922-131933657", id = "record", issn = "0004-6361", doi = "10.1051/0004-6361:200810968", volume = "494" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20170201-111306968, title = "Three-Dimensional Quantitative Structure−Activity Relationship of Nucleosides Acting at the A\_3 Adenosine Receptor: Analysis of Binding and Relative Efficacy", journal = "Journal of Chemical Information and Modeling", year = "2007", url = "https://resolver.caltech.edu/CaltechAUTHORS:20170201-111306968", id = "record", issn = "1549-9596", doi = "10.1021/ci600501z", volume = "47" } @article{https://resolver.caltech.edu/CaltechAUTHORS:SCAjbc07, title = "Multiple Residues in the Second Extracellular Loop Are Critical for M3 Muscarinic Acetylcholine Receptor Activation", journal = "Journal of Biological Chemistry", year = "2007", url = "https://resolver.caltech.edu/CaltechAUTHORS:SCAjbc07", id = "record", issn = "0021-9258", doi = "10.1074/jbc.M610394200", volume = "282" }