| Sulfation patterns of glycosaminoglycans encode molecular recognition and activity CI Gama, SE Tully, N Sotogaku, PM Clark, M Rawat, N Vaidehi, ... Nature chemical biology 2 (9), 467-473, 2006 | 663 | 2006 |
| Prediction of structure and function of G protein-coupled receptors N Vaidehi, WB Floriano, R Trabanino, SE Hall, P Freddolino, EJ Choi, ... Proceedings of the National Academy of Sciences 99 (20), 12622-12627, 2002 | 380 | 2002 |
| Human breast cancer metastases to the brain display GABAergic properties in the neural niche J Neman, J Termini, S Wilczynski, N Vaidehi, C Choy, CM Kowolik, H Li, ... Proceedings of the National Academy of Sciences 111 (3), 984-989, 2014 | 338 | 2014 |
| Loss of signalling via Gα13 in germinal centre B-cell-derived lymphoma JR Muppidi, R Schmitz, JA Green, W Xiao, AB Larsen, SE Braun, J An, ... Nature 516 (7530), 254-258, 2014 | 327 | 2014 |
| Stabilization of coiled-coil peptide domains by introduction of trifluoroleucine Y Tang, G Ghirlanda, N Vaidehi, J Kua, DT Mainz, WA Goddard, ... Biochemistry 40 (9), 2790-2796, 2001 | 255 | 2001 |
| A fast recursive algorithm for molecular dynamics simulation A Jain, N Vaidehi, G Rodriguez Journal of computational physics 106 (2), 258-268, 1993 | 248 | 1993 |
| The predicted 3D structure of the human D2 dopamine receptor and the binding site and binding affinities for agonists and antagonists MYS Kalani, N Vaidehi, SE Hall, RJ Trabanino, PL Freddolino, MA Kalani, ... Proceedings of the national academy of sciences 101 (11), 3815-3820, 2004 | 208 | 2004 |
| Molecular mechanisms underlying differential odor responses of a mouse olfactory receptor WB Floriano, N Vaidehi, WA Goddard III, MS Singer, GM Shepherd Proceedings of the National Academy of Sciences 97 (20), 10712-10716, 2000 | 176 | 2000 |
| Variable G protein determinants of GPCR coupling selectivity N Okashah, Q Wan, S Ghosh, M Sandhu, A Inoue, N Vaidehi, NA Lambert Proceedings of the National Academy of Sciences 116 (24), 12054-12059, 2019 | 160 | 2019 |
| Predicted 3D structure for the human β2 adrenergic receptor and its binding site for agonists and antagonists PL Freddolino, MYS Kalani, N Vaidehi, WB Floriano, SE Hall, ... Proceedings of the national academy of sciences 101 (9), 2736-2741, 2004 | 160 | 2004 |
| Ligand-stabilized conformational states of human β2 adrenergic receptor: insight into G-protein-coupled receptor activation S Bhattacharya, SE Hall, H Li, N Vaidehi Biophysical journal 94 (6), 2027-2042, 2008 | 149 | 2008 |
| Molecular dynamics for very large systems on massively parallel computers: the MPSim program KT Lim, S Brunett, M Iotov, RB McClurg, N Vaidehi, S Dasgupta, S Taylor, ... Journal of Computational Chemistry 18 (4), 501-521, 1997 | 139 | 1997 |
| The role of conformational ensembles of seven transmembrane receptors in functional selectivity N Vaidehi, T Kenakin Current opinion in pharmacology 10 (6), 775-781, 2010 | 131 | 2010 |
| Predictions of CCR1 chemokine receptor structure and BX 471 antagonist binding followed by experimental validation N Vaidehi, S Schlyer, RJ Trabanino, WB Floriano, R Abrol, S Sharma, ... Journal of Biological Chemistry 281 (37), 27613-27620, 2006 | 131 | 2006 |
| First principles predictions of the structure and function of g-protein-coupled receptors: validation for bovine rhodopsin RJ Trabanino, SE Hall, N Vaidehi, WB Floriano, VWT Kam, WA Goddard Biophysical Journal 86 (4), 1904-1921, 2004 | 129 | 2004 |
| Protein dynamics in a family of laboratory evolved thermophilic enzymes PL Wintrode, D Zhang, N Vaidehi, FH Arnold, WA Goddard III Journal of molecular biology 327 (3), 745-757, 2003 | 125 | 2003 |
| Differences in allosteric communication pipelines in the inactive and active states of a GPCR S Bhattacharya, N Vaidehi Biophysical journal 107 (2), 422-434, 2014 | 122 | 2014 |
| Making sense of olfaction through predictions of the 3-D structure and function of olfactory receptors WB Floriano, N Vaidehi, WA Goddard III Chemical senses 29 (4), 269-290, 2004 | 106 | 2004 |
| Mechanism for antibody catalysis of the oxidation of water by singlet dioxygen D Datta, N Vaidehi, X Xu, WA Goddard III Proceedings of the National Academy of Sciences 99 (5), 2636-2641, 2002 | 104 | 2002 |
| Predicted 3-D structures for mouse I7 and rat I7 olfactory receptors and comparison of predicted odor recognition profiles with experiment SE Hall, WB Floriano, N Vaidehi, WA Goddard III Chemical senses 29 (7), 595-616, 2004 | 102 | 2004 |
