Kapoor K - Search Results

1

Discovery of Novel Nonactive Site Inhibitors of the Prothrombinase Enzyme Complex.

Kapoor K, McGill N, Peterson CB, Meyers HV, Blackburn MN, Baudry J. Kapoor K, et al. J Chem Inf Model. 2016 Mar 28;56(3):535-47. doi: 10.1021/acs.jcim.5b00596. Epub 2016 Mar 1. J Chem Inf Model. 2016. PMID: 26848511

2

Ensemble-based docking: From hit discovery to metabolism and toxicity predictions.

Evangelista W, Weir RL, Ellingson SR, Harris JB, Kapoor K, Smith JC, Baudry J. Evangelista W, et al. Among authors: kapoor k. Bioorg Med Chem. 2016 Oct 15;24(20):4928-4935. doi: 10.1016/j.bmc.2016.07.064. Epub 2016 Jul 29. Bioorg Med Chem. 2016. PMID: 27543390 Free PMC article.

3

GPCR6A Is a Molecular Target for the Natural Products Gallate and EGCG in Green Tea.

Pi M, Kapoor K, Ye R, Smith JC, Baudry J, Quarles LD. Pi M, et al. Among authors: kapoor k. Mol Nutr Food Res. 2018 Apr;62(8):e1700770. doi: 10.1002/mnfr.201700770. Epub 2018 Apr 14. Mol Nutr Food Res. 2018. PMID: 29468843 Free PMC article.

4

Computationally identified novel agonists for GPRC6A.

Pi M, Kapoor K, Ye R, Hwang DJ, Miller DD, Smith JC, Baudry J, Quarles LD. Pi M, et al. Among authors: kapoor k. PLoS One. 2018 Apr 23;13(4):e0195980. doi: 10.1371/journal.pone.0195980. eCollection 2018. PLoS One. 2018. PMID: 29684031 Free PMC article.

5

Binding Mechanisms of Electron Transport Proteins with Cyanobacterial Photosystem I: An Integrated Computational and Experimental Model.

Kapoor K, Cashman DJ, Nientimp L, Bruce BD, Baudry J. Kapoor K, et al. J Phys Chem B. 2018 Jan 25;122(3):1026-1036. doi: 10.1021/acs.jpcb.7b08307. Epub 2018 Jan 16. J Phys Chem B. 2018. PMID: 29211957

6

Structural and Functional Evidence for Testosterone Activation of GPRC6A in Peripheral Tissues.

Pi M, Kapoor K, Wu Y, Ye R, Senogles SE, Nishimoto SK, Hwang DJ, Miller DD, Narayanan R, Smith JC, Baudry J, Quarles LD. Pi M, et al. Among authors: kapoor k. Mol Endocrinol. 2015 Dec;29(12):1759-73. doi: 10.1210/me.2015-1161. Epub 2015 Oct 6. Mol Endocrinol. 2015. PMID: 26440882 Free PMC article.

7

Evidence for Osteocalcin Binding and Activation of GPRC6A in β-Cells.

Pi M, Kapoor K, Ye R, Nishimoto SK, Smith JC, Baudry J, Quarles LD. Pi M, et al. Among authors: kapoor k. Endocrinology. 2016 May;157(5):1866-80. doi: 10.1210/en.2015-2010. Epub 2016 Mar 23. Endocrinology. 2016. PMID: 27007074 Free PMC article.

8

Highly Dynamic Anion-Quadrupole Networks in Proteins.

Kapoor K, Duff MR, Upadhyay A, Bucci JC, Saxton AM, Hinde RJ, Howell EE, Baudry J. Kapoor K, et al. Biochemistry. 2016 Nov 1;55(43):6056-6069. doi: 10.1021/acs.biochem.6b00624. Epub 2016 Oct 24. Biochemistry. 2016. PMID: 27753291

9

The carboxylation status of osteocalcin has important consequences for its structure and dynamics.

Kapoor K, Pi M, Nishimoto SK, Quarles LD, Baudry J, Smith JC. Kapoor K, et al. Biochim Biophys Acta Gen Subj. 2021 Mar;1865(3):129809. doi: 10.1016/j.bbagen.2020.129809. Epub 2020 Dec 17. Biochim Biophys Acta Gen Subj. 2021. PMID: 33340588 Free PMC article. Review.

10

Extended-ensemble docking to probe dynamic variation of ligand binding sites during large-scale structural changes of proteins.

Kapoor K, Thangapandian S, Tajkhorshid E. Kapoor K, et al. Chem Sci. 2022 Mar 16;13(14):4150-4169. doi: 10.1039/d2sc00841f. eCollection 2022 Apr 6. Chem Sci. 2022. PMID: 35440993 Free PMC article.

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