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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