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Shiva Sekharan
Shiva Sekharan
Sr. Director of Formulations Business Development, Schrödinger Inc. New York, NY
Нема верификоване имејл адресе - Почетна страница
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Self-assembly of dendronized perylene bisimides into complex helical columns
V Percec, M Peterca, T Tadjiev, X Zeng, G Ungar, P Leowanawat, E Aqad, ...
Journal of the American Chemical Society 133 (31), 12197-12219, 2011
1372011
Implausibility of the vibrational theory of olfaction
E Block, S Jang, H Matsunami, S Sekharan, B Dethier, MZ Ertem, ...
Proceedings of the National Academy of Sciences 112 (21), E2766-E2774, 2015
1132015
Origin of spectral tuning in rhodopsin—it is not the binding pocket
S Sekharan, M Sugihara, V Buss
Angewandte Chemie International Edition 46 (1‐2), 269-271, 2007
1022007
Structure-based macrocycle design in small-molecule drug discovery and simple metrics to identify opportunities for macrocyclization of small-molecule ligands
MD Cummings, S Sekharan
Journal of Medicinal Chemistry 62 (15), 6843-6853, 2019
992019
Why 11-cis-Retinal? Why Not 7-cis-, 9-cis-, or 13-cis-Retinal in the Eye?
S Sekharan, K Morokuma
Journal of the American Chemical Society 133 (47), 19052-19055, 2011
902011
Molecular mechanism of activation of human musk receptors OR5AN1 and OR1A1 by (R)-muscone and diverse other musk-smelling compounds
L Ahmed, Y Zhang, E Block, M Buehl, MJ Corr, RA Cormanich, S Gundala, ...
Proceedings of the National Academy of Sciences 115 (17), E3950-E3958, 2018
802018
Columnar packing motifs of functionalized perylene derivatives: Local molecular order despite long-range disorder
MR Hansen, R Graf, S Sekharan, D Sebastiani
Journal of the American Chemical Society 131 (14), 5251-5256, 2009
782009
Ground and excited states of retinal Schiff base chromophores by multiconfigurational perturbation theory
S Sekharan, O Weingart, V Buss
Biophysical journal 91 (1), L07-L09, 2006
662006
Activation of OR1A1 suppresses PPAR-γ expression by inducing HES-1 in cultured hepatocytes
C Wu, Y Jia, JH Lee, Y Kim, S Sekharan, VS Batista, SJ Lee
The international journal of biochemistry & cell biology 64, 75-80, 2015
642015
Color vision:“OH-site” rule for seeing red and green
S Sekharan, K Katayama, H Kandori, K Morokuma
Journal of the American Chemical Society 134 (25), 10706-10712, 2012
612012
QM/MM study of the structure, energy storage, and origin of the bathochromic shift in vertebrate and invertebrate bathorhodopsins
S Sekharan, K Morokuma
Journal of the American Chemical Society 133 (13), 4734-4737, 2011
502011
The active site of melanopsin: the biological clock photoreceptor
S Sekharan, JN Wei, VS Batista
Journal of the American Chemical Society 134 (48), 19536-19539, 2012
482012
Photochemistry of Visual Pigment in a Gq Protein‐Coupled Receptor (GPCR)—Insights from Structural and Spectral Tuning Studies on Squid Rhodopsin
S Sekharan, A Altun, K Morokuma
Chemistry–A European Journal 16 (6), 1744-1749, 2010
482010
Protein Assistance in the Photoisomerization of Rhodopsin and 9-cis-Rhodopsin Insights from Experiment and Theory
S Sekharan, M Sugihara, O Weingart, T Okada, V Buss
Journal of the American Chemical Society 129 (5), 1052-1054, 2007
432007
QM/MM model of the mouse olfactory receptor MOR244-3 validated by site-directed mutagenesis experiments
S Sekharan, MZ Ertem, H Zhuang, E Block, H Matsunami, R Zhang, ...
Biophysical journal 107 (5), L5-L8, 2014
372014
Unusual kinetics of thermal decay of dim-light photoreceptors in vertebrate vision
Y Guo, S Sekharan, J Liu, VS Batista, JC Tully, ECY Yan
Proceedings of the National Academy of Sciences 111 (29), 10438-10443, 2014
352014
QM/MM study of dehydro and dihydro β-ionone retinal analogues in squid and bovine rhodopsins: Implications for vision in salamander rhodopsin
S Sekharan, A Altun, K Morokuma
Journal of the American Chemical Society 132 (45), 15856-15859, 2010
342010
Spectral tuning in halorhodopsin: The chloride pump photoreceptor
R Pal, S Sekharan, VS Batista
Journal of the American Chemical Society 135 (26), 9624-9627, 2013
302013
Spectral tuning of ultraviolet cone pigments: an interhelical lock mechanism
S Sekharan, VL Mooney, I Rivalta, MA Kazmi, M Neitz, J Neitz, TP Sakmar, ...
Journal of the American Chemical Society 135 (51), 19064-19067, 2013
282013
Computational insights into kinetic hindrance affecting crystallization of stable forms of active pharmaceutical ingredients
YA Abramov, P Zhang, Q Zeng, M Yang, Y Liu, S Sekharan
Crystal Growth & Design 20 (3), 1512-1525, 2020
272020
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