Year |
Citation |
Score |
2018 |
Tautermann CS, Binder F, Büttner FH, Eickmeier C, Fiegen D, Gross U, Grundl MA, Heilker R, Hobson S, Hoerer S, Luippold A, Mack V, Montel F, Peters S, Bhattacharya S, et al. Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule. Journal of Medicinal Chemistry. PMID 30207464 DOI: 10.1021/Acs.Jmedchem.8B00857 |
0.348 |
|
2018 |
Nivedha A, Tautermann C, Bhattacharya S, Lee S, Casarosa P, Kollak I, Kiechle T, Vaidehi N. Identifying Functional Hotspot Residues for Biased Ligand Design in G-protein-coupled Receptors. Molecular Pharmacology. PMID 29367258 DOI: 10.1124/Mol.117.110395 |
0.374 |
|
2017 |
Bhattacharya S, Vaidehi N. Mechanism of Allosteric Communication in GPCR Activation from Microsecond Scale Molecular Dynamics Simulations Biophysical Journal. 112. DOI: 10.1016/J.Bpj.2016.11.2697 |
0.393 |
|
2016 |
Krumm BE, Lee S, Bhattacharya S, Botos I, White CF, Du H, Vaidehi N, Grisshammer R. Structure and dynamics of a constitutively active neurotensin receptor. Scientific Reports. 6: 38564. PMID 27924846 DOI: 10.1038/Srep38564 |
0.423 |
|
2016 |
Lee S, Mao A, Bhattacharya S, Robertson N, Grisshammer R, Tate CG, Vaidehi N. How do short chain non-ionic detergents destabilize GPCRs? Journal of the American Chemical Society. PMID 27792324 DOI: 10.1021/Jacs.6B08742 |
0.404 |
|
2016 |
Bhattacharya S, Salomon-Ferrer R, Lee S, Vaidehi N. Conserved mechanism of conformational stability and dynamics in G-protein-coupled receptors. Journal of Chemical Theory and Computation. PMID 27709935 DOI: 10.1021/Acs.Jctc.6B00618 |
0.409 |
|
2016 |
Vaidehi N, Bhattacharya S. Allosteric communication pipelines in G-protein-coupled receptors. Current Opinion in Pharmacology. 30: 76-83. PMID 27497048 DOI: 10.1016/J.Coph.2016.07.010 |
0.327 |
|
2016 |
Vaidehi N, Lee S, Bhattacharya S, Sandhu M, Grisshammer R, Tate CG. Insights into How Mutations Thermostabilize G-Protein-Coupled Receptors Biophysical Journal. 110: 39. DOI: 10.1016/J.Bpj.2015.11.281 |
0.416 |
|
2016 |
Lee S, Bhattacharya S, Mao A, Grisshammer R, Tate C, Vaidehi N. Insights into the Stability of GPCRs in Detergent Micelles Biophysical Journal. 110. DOI: 10.1016/J.Bpj.2015.11.1265 |
0.412 |
|
2016 |
Bhattacharya S, Grisshammer R, Vaidehi N. Atomic Level Insights into the Activation Mechanism of Neurotensin Receptor 1 Biophysical Journal. 110. DOI: 10.1016/J.Bpj.2015.11.124 |
0.404 |
|
2015 |
Soto AG, Smith TH, Chen B, Bhattacharya S, Cordova IC, Kenakin T, Vaidehi N, Trejo J. N-linked glycosylation of protease-activated receptor-1 at extracellular loop 2 regulates G-protein signaling bias. Proceedings of the National Academy of Sciences of the United States of America. PMID 26100877 DOI: 10.1073/Pnas.1508838112 |
0.348 |
|
2015 |
Lee S, Bhattacharya S, Tate CG, Grisshammer R, Vaidehi N. Structural dynamics and thermostabilization of neurotensin receptor 1. The Journal of Physical Chemistry. B. 119: 4917-28. PMID 25807267 DOI: 10.1021/Jp510735F |
0.363 |
|
2015 |
Bhattacharya S, Kasam V, Li H, Vaidehi N. Identifying Transient Binding Pockets in Protein Dynamics for Allosteric Drug Design Biophysical Journal. 108: 3-9. DOI: 10.1016/J.Bpj.2014.11.2079 |
0.314 |
|
2014 |
Bhattacharya S, Lee S, Grisshammer R, Tate CG, Vaidehi N. Rapid Computational Prediction of Thermostabilizing Mutations for G Protein-Coupled Receptors. Journal of Chemical Theory and Computation. 10: 5149-5160. PMID 25400524 DOI: 10.1021/Ct500616V |
0.407 |
|
2014 |
Bhattacharya S, Vaidehi N. Differences in allosteric communication pipelines in the inactive and active states of a GPCR. Biophysical Journal. 107: 422-34. PMID 25028884 DOI: 10.1016/J.Bpj.2014.06.015 |
0.348 |
|
2014 |
Lee S, Bhattacharya S, Grisshammer R, Tate C, Vaidehi N. Dynamic behavior of the active and inactive states of the adenosine A(2A) receptor. The Journal of Physical Chemistry. B. 118: 3355-65. PMID 24579769 DOI: 10.1021/Jp411618H |
0.375 |
|
2014 |
Vaidehi N, Bhattacharya S, Larsen AB. Structure and dynamics of G-protein coupled receptors. Advances in Experimental Medicine and Biology. 796: 37-54. PMID 24158800 DOI: 10.1007/978-94-007-7423-0_3 |
0.422 |
|
2014 |
Lee S, Bhattacharya S, Vaidehi N. Dynamic Behavior of the Active and Inactive State of Adenosine A2A Receptors Biophysical Journal. 106. DOI: 10.1016/J.Bpj.2013.11.3906 |
0.382 |
|
2014 |
Bhattacharya S, Vaidehi N. Mapping Allosteric Communication Pipelines in GPCRs from Microsecond Timescale Molecular Dynamics Simulations Biophysical Journal. 106. DOI: 10.1016/J.Bpj.2013.11.3512 |
0.38 |
|
2013 |
Niesen MJ, Bhattacharya S, Grisshammer R, Tate CG, Vaidehi N. Thermostabilization of the β1-adrenergic receptor correlates with increased entropy of the inactive state. The Journal of Physical Chemistry. B. 117: 7283-91. PMID 23697892 DOI: 10.1021/Jp403207C |
0.386 |
|
2013 |
Bhattacharya S, Lam AR, Li H, Balaraman G, Niesen MJ, Vaidehi N. Critical analysis of the successes and failures of homology models of G protein-coupled receptors. Proteins. 81: 729-39. PMID 23042299 DOI: 10.1002/Prot.24195 |
0.404 |
|
2012 |
Bhattacharya S, Vaidehi N. LITiCon: a discrete conformational sampling computational method for mapping various functionally selective conformational states of transmembrane helical proteins. Methods in Molecular Biology (Clifton, N.J.). 914: 167-78. PMID 22976028 DOI: 10.1007/978-1-62703-023-6_10 |
0.377 |
|
2012 |
Fowler JC, Bhattacharya S, Urban JD, Vaidehi N, Mailman RB. Receptor conformations involved in dopamine D(2L) receptor functional selectivity induced by selected transmembrane-5 serine mutations. Molecular Pharmacology. 81: 820-31. PMID 22416052 DOI: 10.1124/Mol.111.075457 |
0.338 |
|
2012 |
Bhattacharya S, Matthew M, Larsen A, Vaidehi N. GPCRTooKit: A Computational Platform for Structural Comparison of GPCR Crystal Structures and Homology Model Refinement Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.2566 |
0.397 |
|
2012 |
Niesen MJM, Bhattacharya S, Vaidehi N. Conformational Selection and Allosteric Regulation upon Ligand Binding in G-Protein Coupled Receptors Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.1239 |
0.392 |
|
2011 |
Vaidehi N, Bhattacharya S. Multiscale computational methods for mapping conformational ensembles of G-protein-coupled receptors. Advances in Protein Chemistry and Structural Biology. 85: 253-80. PMID 21920326 DOI: 10.1016/B978-0-12-386485-7.00007-7 |
0.403 |
|
2011 |
Niesen MJ, Bhattacharya S, Vaidehi N. The role of conformational ensembles in ligand recognition in G-protein coupled receptors. Journal of the American Chemical Society. 133: 13197-204. PMID 21766860 DOI: 10.1021/Ja205313H |
0.413 |
|
2011 |
Lam AR, Bhattacharya S, Patel K, Hall SE, Mao A, Vaidehi N. Importance of receptor flexibility in binding of cyclam compounds to the chemokine receptor CXCR4. Journal of Chemical Information and Modeling. 51: 139-47. PMID 21158459 DOI: 10.1021/Ci1003027 |
0.352 |
|
2011 |
Bhattacharya S, Niesen M, Lam AR, Vaidehi N. Role of water and G Protein in modulating agonist affinity in GPCRs Biophysical Journal. 100. DOI: 10.1016/J.Bpj.2010.12.1388 |
0.412 |
|
2010 |
Balaraman GS, Bhattacharya S, Vaidehi N. Structural insights into conformational stability of wild-type and mutant beta1-adrenergic receptor. Biophysical Journal. 99: 568-77. PMID 20643076 DOI: 10.1016/J.Bpj.2010.04.075 |
0.327 |
|
2010 |
Bhattacharya S, Subramanian G, Hall S, Lin J, Laoui A, Vaidehi N. Allosteric antagonist binding sites in class B GPCRs: corticotropin receptor 1. Journal of Computer-Aided Molecular Design. 24: 659-74. PMID 20512399 DOI: 10.1007/S10822-010-9364-2 |
0.355 |
|
2010 |
Bhattacharya S, Vaidehi N. Computational mapping of the conformational transitions in agonist selective pathways of a G-protein coupled receptor. Journal of the American Chemical Society. 132: 5205-14. PMID 20235532 DOI: 10.1021/Ja910700Y |
0.411 |
|
2010 |
Bhattacharya S, Vaidehi N. Activation Pathways of Agonists, Partial Agonists and Inverse Agonist in Beta1 and Beta2 Adrenergic Receptors Biophysical Journal. 98. DOI: 10.1016/J.Bpj.2009.12.3543 |
0.388 |
|
2010 |
Bhattacharya S, Vaidehi N. Computational Methods for Mapping Ligand Induced Conformational Changes in GPCRs Biophysical Journal. 98. DOI: 10.1016/J.Bpj.2009.12.2500 |
0.378 |
|
2009 |
Bhattacharya S, Coasne B, Hung FR, Gubbins KE. Modeling micelle-templated mesoporous material SBA-15: atomistic model and gas adsorption studies. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 5802-13. PMID 19099416 DOI: 10.1021/La801560E |
0.678 |
|
2009 |
Bhattacharya S, Vaidehi N. Ligand Induced Conformational Changes in GPCRs: Insight Into the Activation of Rhodopsin and β-adrenergic Receptors Biophysical Journal. 96. DOI: 10.1016/J.Bpj.2008.12.101 |
0.389 |
|
2008 |
Bhattacharya S, Hall SE, Vaidehi N. Agonist-induced conformational changes in bovine rhodopsin: insight into activation of G-protein-coupled receptors. Journal of Molecular Biology. 382: 539-55. PMID 18638482 DOI: 10.1016/J.Jmb.2008.06.084 |
0.398 |
|
2008 |
Bhattacharya S, Hall SE, Li H, Vaidehi N. Ligand-stabilized conformational states of human beta(2) adrenergic receptor: insight into G-protein-coupled receptor activation. Biophysical Journal. 94: 2027-42. PMID 18065472 DOI: 10.1529/Biophysj.107.117648 |
0.386 |
|
2007 |
Bhattacharya S, Coasne B, Hung FR, Gubbins KE. Modeling Triblock Surfactant Templated Mesoporous Silicas (MCF and SBA-15): A Mimetic Simulation Study Studies in Surface Science and Catalysis. 160: 527-534. DOI: 10.1016/S0167-2991(07)80068-1 |
0.68 |
|
2007 |
Hung FR, Bhattacharya S, Coasne B, Thommes M, Gubbins KE. Argon and krypton adsorption on templated mesoporous silicas: Molecular simulation and experiment Adsorption. 13: 425-437. DOI: 10.1007/S10450-007-9034-4 |
0.675 |
|
2006 |
Bhattacharya S, Gubbins KE. Fast method for computing pore size distributions of model materials. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 7726-31. PMID 16922556 DOI: 10.1021/La052651K |
0.522 |
|
2006 |
Bhattacharya S, Coasne B, Hung FR, Gubbins KE. Modeling triblock surfactant templated mesoporous silicas (MCF and SBA-15): A mimetic simulation study Studies in Surface Science and Catalysis. 160: 527-534. |
0.644 |
|
2005 |
Bhattacharya S, Gubbins KE. Modeling triblock surfactant-templated mesostructured cellular foams. The Journal of Chemical Physics. 123: 134907. PMID 16223331 DOI: 10.1063/1.2013250 |
0.538 |
|
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