Kalyaanamoorthy S - Search Results

1

Design and Development of COX-II Inhibitors: Current Scenario and Future Perspective.

Chahal S, Rani P, Kiran, Sindhu J, Joshi G, Ganesan A, Kalyaanamoorthy S, Mayank, Kumar P, Singh R, Negi A. Chahal S, et al. Among authors: kalyaanamoorthy s. ACS Omega. 2023 May 9;8(20):17446-17498. doi: 10.1021/acsomega.3c00692. eCollection 2023 May 23. ACS Omega. 2023. PMID: 37251190 Free PMC article. Review.

2

Modelling and enhanced molecular dynamics to steer structure-based drug discovery.

Kalyaanamoorthy S, Chen YP. Kalyaanamoorthy S, et al. Prog Biophys Mol Biol. 2014 May;114(3):123-36. doi: 10.1016/j.pbiomolbio.2013.06.004. Epub 2013 Jul 1. Prog Biophys Mol Biol. 2014. PMID: 23827463 Review.

3

A minimum reporting standard for multiple sequence alignments.

Wong TKF, Kalyaanamoorthy S, Meusemann K, Yeates DK, Misof B, Jermiin LS. Wong TKF, et al. Among authors: kalyaanamoorthy s. NAR Genom Bioinform. 2020 Apr 14;2(2):lqaa024. doi: 10.1093/nargab/lqaa024. eCollection 2020 Jun. NAR Genom Bioinform. 2020. PMID: 33575581 Free PMC article.

4

Atomistic modeling and molecular dynamics analysis of human Ca_V1.2 channel using external electric field and ion pulling simulations.

Feng T, Kalyaanamoorthy S, Ganesan A, Barakat K. Feng T, et al. Among authors: kalyaanamoorthy s. Biochim Biophys Acta Gen Subj. 2019 Jun;1863(6):1116-1126. doi: 10.1016/j.bbagen.2019.04.006. Epub 2019 Apr 9. Biochim Biophys Acta Gen Subj. 2019. PMID: 30978379

5

Structure-based virtual screening, molecular dynamics and binding affinity calculations of some potential phytocompounds against SARS-CoV-2.

Naik SR, Bharadwaj P, Dingelstad N, Kalyaanamoorthy S, Mandal SC, Ganesan A, Chattopadhyay D, Palit P. Naik SR, et al. Among authors: kalyaanamoorthy s. J Biomol Struct Dyn. 2022 Sep;40(15):6921-6938. doi: 10.1080/07391102.2021.1891969. Epub 2021 Mar 8. J Biomol Struct Dyn. 2022. PMID: 33682632

6

Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 main protease complexes reveal the role of lateral pocket in enhancing the ligand affinity.

Weng YL, Naik SR, Dingelstad N, Lugo MR, Kalyaanamoorthy S, Ganesan A. Weng YL, et al. Among authors: kalyaanamoorthy s. Sci Rep. 2021 Apr 1;11(1):7429. doi: 10.1038/s41598-021-86471-0. Sci Rep. 2021. PMID: 33795718 Free PMC article.

7

Engineering stable carbonic anhydrases for CO2 capture: a critical review.

Mesbahuddin MS, Ganesan A, Kalyaanamoorthy S. Mesbahuddin MS, et al. Among authors: kalyaanamoorthy s. Protein Eng Des Sel. 2021 Feb 15;34:gzab021. doi: 10.1093/protein/gzab021. Protein Eng Des Sel. 2021. PMID: 34427656 Review.

8

hnRNP A/B Proteins: An Encyclopedic Assessment of Their Roles in Homeostasis and Disease.

Thibault PA, Ganesan A, Kalyaanamoorthy S, Clarke JWE, Salapa HE, Levin MC. Thibault PA, et al. Among authors: kalyaanamoorthy s. Biology (Basel). 2021 Jul 24;10(8):712. doi: 10.3390/biology10080712. Biology (Basel). 2021. PMID: 34439945 Free PMC article. Review.

9

Development of Safe Drugs: The hERG Challenge.

Kalyaanamoorthy S, Barakat KH. Kalyaanamoorthy S, et al. Med Res Rev. 2018 Mar;38(2):525-555. doi: 10.1002/med.21445. Epub 2017 May 3. Med Res Rev. 2018. PMID: 28467598 Review.

10

PoseFilter: a PyMOL plugin for filtering and analyzing small molecule docking in symmetric binding sites.

Williams JC, Kalyaanamoorthy S. Williams JC, et al. Among authors: kalyaanamoorthy s. Bioinformatics. 2021 Oct 11;37(19):3367-3368. doi: 10.1093/bioinformatics/btab188. Bioinformatics. 2021. PMID: 33742661

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