Ravinder Abrol, Ph.D. - Publications

2003 California Institute of Technology, Pasadena, CA 
Theoretical studies of the dynamics of chemical reactions

52 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Abrol R, Serrano E, Santiago LJ. Development of enhanced conformational sampling methods to probe the activation landscape of GPCRs. Advances in Protein Chemistry and Structural Biology. 128: 325-359. PMID 35034722 DOI: 10.1016/bs.apcsb.2021.11.001  0.305
2020 Pacheco S, Widjaja MA, Gomez JS, Crowhurst KA, Abrol R. The complex role of the N-terminus and acidic residues of HdeA as pH-dependent switches in its chaperone function. Biophysical Chemistry. 264: 106406. PMID 32593908 DOI: 10.1016/J.Bpc.2020.106406  0.3
2020 Youkharibache P, Tran A, Abrol R. Pseudo-Symmetric Assembly of Protodomains as a Common Denominator in the Evolution of Polytopic Helical Membrane Proteins. Journal of Molecular Evolution. PMID 32189026 DOI: 10.1007/S00239-020-09934-4  0.315
2020 Abrol R, Santiago LJ. A Structural Framework for the G Protein Selectivity of Muscarinic Acetylcholine GPCRs The Faseb Journal. 34: 1-1. DOI: 10.1096/Fasebj.2020.34.S1.05070  0.327
2019 Santiago LJ, Abrol R. Understanding G Protein Selectivity of Muscarinic Acetylcholine Receptors Using Computational Methods. International Journal of Molecular Sciences. 20. PMID 31653051 DOI: 10.3390/Ijms20215290  0.364
2019 Rodriguez C, Sajjadi S, Abrol R, Wen X. A beetle antifreeze protein protects lactate dehydrogenase under freeze-thawing. International Journal of Biological Macromolecules. PMID 31226372 DOI: 10.1016/J.Ijbiomac.2019.06.067  0.309
2019 Santiago L, Abrol R. Mechanisms of G Protein-Selectivity in Muscarinic Acetylcholine Receptor Family Biophysical Journal. 116: 234a. DOI: 10.1016/J.Bpj.2018.11.1285  0.324
2017 Shankar V, Goddard WA, Kim SK, Abrol R. The Predicted 3D Structure of Human DP Prostaglandin G Protein-Coupled Receptor Bound to CPI Antagonist. Journal of Chemical Theory and Computation. PMID 29268008 DOI: 10.1021/Acs.Jctc.7B00842  0.433
2017 Griffith AR, Rogers CJ, Miller GM, Abrol R, Hsieh-Wilson LC, Goddard WA. Predicting glycosaminoglycan surface protein interactions and implications for studying axonal growth. Proceedings of the National Academy of Sciences of the United States of America. PMID 29229841 DOI: 10.1073/Pnas.1715093115  0.344
2017 Dong SS, Goddard WA, Abrol R. Identifying multiple active conformations in the G protein-coupled receptor activation landscape using computational methods. Methods in Cell Biology. 142: 173-186. PMID 28964335 DOI: 10.1016/Bs.Mcb.2017.07.009  0.41
2017 Kim SK, Chen Y, Abrol R, Goddard WA, Guthrie B. Activation mechanism of the G protein-coupled sweet receptor heterodimer with sweeteners and allosteric agonists. Proceedings of the National Academy of Sciences of the United States of America. PMID 28228527 DOI: 10.1073/Pnas.1700001114  0.42
2016 Dong SS, Goddard WA, Abrol R. Conformational and Thermodynamic Landscape of GPCR Activation from Theory and Computation. Biophysical Journal. 110: 2618-2629. PMID 27332120 DOI: 10.1016/J.Bpj.2016.04.028  0.43
2016 Pham H, Hui H, Morvaridi-Khadag S, Cai J, Zhang S, Tan J, Wu V, Levin N, Knudsen B, Goddard WA, Pandol SJ, Abrol R. A bitter pill for type 2 diabetes? The activation of bitter taste receptor TAS2R38 can stimulate GLP-1 release from enteroendocrine L-cells. Biochemical and Biophysical Research Communications. PMID 27208775 DOI: 10.1016/J.Bbrc.2016.04.149  0.346
2016 Cvicek V, Goddard WA, Abrol R. Structure-Based Sequence Alignment of the Transmembrane Domains of All Human GPCRs: Phylogenetic, Structural and Functional Implications. Plos Computational Biology. 12: e1004805. PMID 27028541 DOI: 10.1371/Journal.Pcbi.1004805  0.393
2015 Scott C, Ahn KH, Graf ST, Goddard Iii WA, Kendall DA, Abrol R. Computational Prediction and Biochemical Analyses of New Inverse Agonists for the CB1 Receptor. Journal of Chemical Information and Modeling. PMID 26633590 DOI: 10.1021/Acs.Jcim.5B00581  0.414
2015 Dong SS, Abrol R, Goddard WA. The predicted ensemble of low-energy conformations of human somatostatin receptor subtype 5 and the binding of antagonists. Chemmedchem. 10: 650-61. PMID 25772628 DOI: 10.1002/Cmdc.201500023  0.44
2015 Abrol R, Tan J, Hui H, Goddard III WA, Pandol SJ. Structural basis for bitter taste receptor activation and its potential role in targeting diabetes Functional Foods in Health and Disease. 5: 117. DOI: 10.31989/Ffhd.V5I3.176  0.376
2014 Abrol R, Trzaskowski B, Goddard WA, Nesterov A, Olave I, Irons C. Ligand- and mutation-induced conformational selection in the CCR5 chemokine G protein-coupled receptor. Proceedings of the National Academy of Sciences of the United States of America. 111: 13040-5. PMID 25157173 DOI: 10.1073/Pnas.1413216111  0.414
2014 Bray JK, Abrol R, Goddard WA, Trzaskowski B, Scott CE. SuperBiHelix method for predicting the pleiotropic ensemble of G-protein-coupled receptor conformations. Proceedings of the National Academy of Sciences of the United States of America. 111: E72-8. PMID 24344284 DOI: 10.1073/Pnas.1321233111  0.423
2014 Dong SS, Abrol R, Goddard WA. Computational Prediction of the Class a GPCR Active State Conformations Biophysical Journal. 106: 308a. DOI: 10.1016/J.Bpj.2013.11.1786  0.408
2013 Berro R, Yasmeen A, Abrol R, Trzaskowski B, Abi-Habib S, Grunbeck A, Lascano D, Goddard WA, Klasse PJ, Sakmar TP, Moore JP. Use of G-protein-coupled and -uncoupled CCR5 receptors by CCR5 inhibitor-resistant and -sensitive human immunodeficiency virus type 1 variants Journal of Virology. 87: 6569-6581. PMID 23468486 DOI: 10.1128/Jvi.00099-13  0.335
2013 Ahn KH, Scott CE, Abrol R, Goddard WA, Kendall DA. Computationally-predicted CB1 cannabinoid receptor mutants show distinct patterns of salt-bridges that correlate with their level of constitutive activity reflected in G protein coupling levels, thermal stability, and ligand binding. Proteins. 81: 1304-17. PMID 23408552 DOI: 10.1002/Prot.24264  0.407
2013 Abrol R, Kim SK, Bray JK, Trzaskowski B, Goddard WA. Conformational ensemble view of G protein-coupled receptors and the effect of mutations and ligand binding. Methods in Enzymology. 520: 31-48. PMID 23332694 DOI: 10.1016/B978-0-12-391861-1.00002-2  0.436
2013 Scott CE, Abrol R, Ahn KH, Kendall DA, Goddard WA. Molecular basis for dramatic changes in cannabinoid CB1 G protein-coupled receptor activation upon single and double point mutations. Protein Science : a Publication of the Protein Society. 22: 101-13. PMID 23184890 DOI: 10.1002/Pro.2192  0.363
2013 Liu F, Abrol R, Goddard WA, Dougherty DA. Conformational Entropic Maps of Functional Coupling Domains in GPCR Activation: A Case Study of β2 Adrenergic Receptor Biophysical Journal. 104: 537a. DOI: 10.1016/J.Bpj.2012.11.2975  0.396
2012 Kirkpatrick A, Heo J, Abrol R, Goddard WA. Predicted structure of agonist-bound glucagon-like peptide 1 receptor, a class B G protein-coupled receptor. Proceedings of the National Academy of Sciences of the United States of America. 109: 19988-93. PMID 23169631 DOI: 10.1073/Pnas.1218051109  0.395
2012 Abrol R, Griffith AR, Bray JK, Goddard WA. Structure prediction of G protein-coupled receptors and their ensemble of functionally important conformations. Methods in Molecular Biology (Clifton, N.J.). 914: 237-54. PMID 22976032 DOI: 10.1007/978-1-62703-023-6_14  0.433
2012 Carpentier E, Greenbaum LA, Rochdi D, Abrol R, Goddard WA, Bichet DG, Bouvier M. Identification and characterization of an activating F229V substitution in the V2 vasopressin receptor in an infant with NSIAD. Journal of the American Society of Nephrology : Jasn. 23: 1635-40. PMID 22956819 DOI: 10.1681/Asn.2012010077  0.338
2012 Tan J, Abrol R, Trzaskowski B, Goddard WA. 3D structure prediction of TAS2R38 bitter receptors bound to agonists phenylthiocarbamide (PTC) and 6-n-propylthiouracil (PROP). Journal of Chemical Information and Modeling. 52: 1875-85. PMID 22656649 DOI: 10.1021/Ci300133A  0.412
2012 Grunbeck A, Huber T, Abrol R, Trzaskowski B, Goddard WA, Sakmar TP. Genetically encoded photo-cross-linkers map the binding site of an allosteric drug on a G protein-coupled receptor Acs Chemical Biology. 7: 967-972. PMID 22455376 DOI: 10.1021/Cb300059Z  0.384
2012 Abrol R, Bray JK, Goddard WA. Bihelix: Towards de novo structure prediction of an ensemble of G-protein coupled receptor conformations. Proteins. 80: 505-18. PMID 22173949 DOI: 10.1002/Prot.23216  0.406
2012 Arnam EBV, McCleary KN, Liu F, Abrol R, Lester HA, Goddard WA, Dougherty DA. Investigation of Dopamine Receptor Structure and Function by Structure Prediction and Unnatural Amino Acid Mutagenesis Biophysical Journal. 102: 247a. DOI: 10.1016/J.Bpj.2011.11.1361  0.338
2011 Abrol R, Kim SK, Bray JK, Griffith AR, Goddard WA. Characterizing and predicting the functional and conformational diversity of seven-transmembrane proteins. Methods (San Diego, Calif.). 55: 405-14. PMID 22197575 DOI: 10.1016/J.Ymeth.2011.12.005  0.419
2011 Kim SK, Fristrup P, Abrol R, Goddard WA. Structure-based prediction of subtype selectivity of histamine H 3 receptor selective antagonists in clinical trials Journal of Chemical Information and Modeling. 51: 3262-3274. PMID 22035233 DOI: 10.1021/Ci200435B  0.376
2011 Nair N, Kudo W, Smith MA, Abrol R, Goddard WA, Reddy VP. Novel purine-based fluoroaryl-1,2,3-triazoles as neuroprotecting agents: synthesis, neuronal cell culture investigations, and CDK5 docking studies. Bioorganic & Medicinal Chemistry Letters. 21: 3957-61. PMID 21641213 DOI: 10.1016/J.Bmcl.2011.05.019  0.315
2011 Rogers CJ, Clark PM, Tully SE, Abrol R, Garcia KC, Goddard WA, Hsieh-Wilson LC. Elucidating glycosaminoglycan-protein-protein interactions using carbohydrate microarray and computational approaches. Proceedings of the National Academy of Sciences of the United States of America. 108: 9747-52. PMID 21628576 DOI: 10.1073/Pnas.1102962108  0.335
2011 Kim SK, Riley L, Abrol R, Jacobson KA, Goddard WA. Predicted structures of agonist and antagonist bound complexes of adenosine A3 receptor. Proteins. 79: 1878-97. PMID 21488099 DOI: 10.1002/Prot.23012  0.422
2011 Kim SK, Li Y, Abrol R, Heo J, Goddard WA. Predicted structures and dynamics for agonists and antagonists bound to serotonin 5-HT2B and 5-HT2C receptors. Journal of Chemical Information and Modeling. 51: 420-33. PMID 21299232 DOI: 10.1021/Ci100375B  0.359
2011 Tan J, Abrol R, Trzaskowski B, Goddard WA. The predicted 3D structure of bitter taste receptors, TAS2R38 based on a BiHelix and SuperBiHelix methodologies Procedia Environmental Sciences. 8: 543-548. DOI: 10.1016/J.Proenv.2011.10.084  0.412
2010 Pascal TA, Abrol R, Mittal R, Wang Y, Prasadarao NV, Goddard WA. Experimental validation of the predicted binding site of Escherichia coli K1 outer membrane protein A to human brain microvascular endothelial cells: identification of critical mutations that prevent E. coli meningitis. The Journal of Biological Chemistry. 285: 37753-61. PMID 20851887 DOI: 10.1074/Jbc.M110.122804  0.308
2010 Kim SK, Li Y, Park C, Abrol R, Goddard WA. 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. Chemmedchem. 5: 1594-608. PMID 20683923 DOI: 10.1002/Cmdc.201000175  0.354
2010 Goddard WA, Kim SK, Li Y, Trzaskowski B, Griffith AR, Abrol R. Predicted 3D structures for adenosine receptors bound to ligands: comparison to the crystal structure. Journal of Structural Biology. 170: 10-20. PMID 20079848 DOI: 10.1016/J.Jsb.2010.01.001  0.405
2009 Chu TS, Han KL, Hankel M, Balint-Kurti GG, Kuppermann A, Abrol R. Nonadiabatic effects in the H + H2 exchange reaction: accurate quantum dynamics calculations at a state-to-state level. The Journal of Chemical Physics. 130: 144301. PMID 19368439 DOI: 10.1063/1.3089724  0.533
2007 Goddard WA, Abrol R. 3-Dimensional structures of G protein-coupled receptors and binding sites of agonists and antagonists. The Journal of Nutrition. 137: 1528S-1538S; discuss. PMID 17513420 DOI: 10.1093/Jn/137.6.1528S  0.418
2007 Lepetit B, Abrol R, Kuppermann A. Geometric phase effects in H3 predissociation Physical Review a - Atomic, Molecular, and Optical Physics. 76. DOI: 10.1103/Physreva.76.040702  0.516
2006 Vaidehi N, Schlyer S, Trabanino RJ, Floriano WB, Abrol R, Sharma S, Kochanny M, Koovakat S, Dunning L, Liang M, Fox JM, de Mendonça FL, Pease JE, Goddard WA, Horuk R. Predictions of CCR1 chemokine receptor structure and BX 471 antagonist binding followed by experimental validation. The Journal of Biological Chemistry. 281: 27613-20. PMID 16837468 DOI: 10.1074/Jbc.M601389200  0.401
2005 Sundaresan V, Abrol R. Biological chiral recognition: the substrate's perspective. Chirality. 17: S30-9. PMID 15736174 DOI: 10.1002/Chir.20108  0.328
2002 Sundaresan V, Abrol R. Towards a general model for protein-substrate stereoselectivity. Protein Science : a Publication of the Protein Society. 11: 1330-9. PMID 12021432 DOI: 10.1110/Ps.3280102  0.321
2002 Abrol R, Kuppermann A. An optimal adiabatic-to-diabatic transformation of the 12 A′ and 22A′ states of H3 Journal of Chemical Physics. 116: 1035-1062. DOI: 10.1063/1.1419257  0.531
2002 Kuppermann A, Abrol R. Quantum reaction dynamics for multiple electronic states Advances in Chemical Physics. 124: 283-322.  0.452
2001 Abrol R, Shaw A, Kuppermann A, Yarkony DR. Accurate first-derivative nonadiabatic couplings for the H3 system Journal of Chemical Physics. 115: 4640-4659. DOI: 10.1063/1.1390510  0.535
2001 Abrol R, Wiesenfeld L, Lambert B, Kuppermann A. A quantum and semiclassical study of dynamical resonances in the C+NO→CN+O reaction Journal of Chemical Physics. 114: 7461-7470. DOI: 10.1063/1.1349083  0.512
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