Karan Kapoor
Karan Kapoor
Scientist, Ensem Therapeutics
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Cited by
Cited by
Evidence for Osteocalcin Binding and Activation of GPRC6A in β-Cells
QLD Pi M, Kapoor K, Ye R, Nishimoto SK, Smith JC, Baudry J
Endocrinology, 2016
Structural and functional evidence for testosterone activation of GPRC6A in peripheral tissues
M Pi, K Kapoor, Y Wu, R Ye, SE Senogles, SK Nishimoto, DJ Hwang, ...
Molecular endocrinology 29 (12), 1759-1773, 2015
Ensemble-based docking: From hit discovery to metabolism and toxicity predictions
W Evangelista, RL Weir, SR Ellingson, JB Harris, K Kapoor, JC Smith, ...
Bioorganic & medicinal chemistry 24 (20), 4928-4935, 2016
Binding mode of SARS-CoV-2 fusion peptide to human cellular membrane
D Gorgun, M Lihan, K Kapoor, E Tajkhorshid
Biophysical journal 120 (14), 2914-2926, 2021
GPCR6A is a molecular target for the natural products gallate and EGCG in green tea
M Pi, K Kapoor, R Ye, JC Smith, J Baudry, LD Quarles
Molecular nutrition & food research 62 (8), 1700770, 2018
Microscopic view of lipids and their diverse biological functions
PC Wen, P Mahinthichaichan, N Trebesch, T Jiang, Z Zhao, E Shinn, ...
Current opinion in structural biology 51, 177-186, 2018
Computational dissection of membrane transport at a microscopic level
T Jiang, PC Wen, N Trebesch, Z Zhao, S Pant, K Kapoor, M Shekhar, ...
Trends in biochemical sciences 45 (3), 202-216, 2020
Discovery of novel nonactive site inhibitors of the prothrombinase enzyme complex
K Kapoor, N McGill, CB Peterson, HV Meyers, MN Blackburn, J Baudry
Journal of chemical information and modeling 56 (3), 535-547, 2016
Active participation of membrane lipids in inhibition of multidrug transporter P-glycoprotein
K Kapoor, S Pant, E Tajkhorshid
Chemical science 12 (18), 6293-6306, 2021
Posttranslational modifications optimize the ability of SARS-CoV-2 spike for effective interaction with host cell receptors
K Kapoor, T Chen, E Tajkhorshid
Proceedings of the National Academy of Sciences 119 (28), e2119761119, 2022
Probing cholesterol binding and translocation in P-glycoprotein
S Thangapandian, K Kapoor, E Tajkhorshid
Biochimica et Biophysica Acta (BBA)-Biomembranes 1862 (1), 183090, 2020
Computationally identified novel agonists for GPRC6A
M Pi, K Kapoor, R Ye, DJ Hwang, DD Miller, JC Smith, J Baudry, ...
PloS one 13 (4), e0195980, 2018
Conformational changes in the nucleotide‐binding domains of P‐glycoprotein induced by ATP hydrolysis
S Dehghani‐Ghahnaviyeh, K Kapoor, E Tajkhorshid
FEBS letters 595 (6), 735-749, 2021
Extended-ensemble docking to probe dynamic variation of ligand binding sites during large-scale structural changes of proteins
K Kapoor, S Thangapandian, E Tajkhorshid
Chemical Science 13 (14), 4150-4169, 2022
Highly Dynamic Anion–Quadrupole Networks in Proteins
K Kapoor, MR Duff, A Upadhyay, JC Bucci, AM Saxton, RJ Hinde, ...
Biochemistry 55 (43), 6056-6069, 2016
Binding Mechanisms of Electron Transport Proteins with Cyanobacterial Photosystem I: An Integrated Computational and Experimental Model
K Kapoor, DJ Cashman, L Nientimp, BD Bruce, J Baudry
The Journal of Physical Chemistry B 122 (3), 1026-1036, 2018
The carboxylation status of osteocalcin has important consequences for its structure and dynamics
K Kapoor, M Pi, SK Nishimoto, LD Quarles, J Baudry, JC Smith
Biochimica et Biophysica Acta (BBA)-General Subjects 1865 (3), 129809, 2021
PPARD may play a protective role against the development of schizophrenia
X Li, S Liu, K Kapoor, Y Xu
PPAR research 2020, 2020
Scalable normalizing flows enable Boltzmann generators for macromolecules
JC Kim, D Bloore, K Kapoor, J Feng, MH Hao, M Wang
arXiv preprint arXiv:2401.04246, 2024
Evidence for direct membrane interaction and cholesterol sensing of A-loop in ABC transporter ABCG2
A Rasouli, K Kapoor, PC Wen, E Tajkhorshid
Biophysical Journal 118 (3), 527a, 2020
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