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Table representation of search results timeline featuring number of search results per year.
Year | Number of Results |
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2019 | 1 |
2020 | 2 |
2021 | 2 |
2022 | 2 |
2023 | 1 |
2024 | 0 |
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Development of machine learning models based on molecular fingerprints for selection of small molecule inhibitors against JAK2 protein.
J Comput Chem. 2023 Jun 15;44(16):1493-1504. doi: 10.1002/jcc.27103. Epub 2023 Mar 16.
J Comput Chem. 2023.
PMID: 36929511
In Silico Screening of Quorum Sensing Inhibitor Candidates Obtained by Chemical Similarity Search.
Shekarappa SB, Rimac H, Lee J.
Shekarappa SB, et al.
Molecules. 2022 Jul 30;27(15):4887. doi: 10.3390/molecules27154887.
Molecules. 2022.
PMID: 35956838
Free PMC article.
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Exploring potential inhibitors against Kyasanur forest disease by utilizing molecular dynamics simulations and ensemble docking.
Kandagalla S, Novak J, Shekarappa SB, Grishina MA, Potemkin VA, Kumbar B.
Kandagalla S, et al. Among authors: shekarappa sb.
J Biomol Struct Dyn. 2022;40(24):13547-13563. doi: 10.1080/07391102.2021.1990131. Epub 2021 Oct 18.
J Biomol Struct Dyn. 2022.
PMID: 34662258
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Computational insights into the binding mode of curcumin analogues against EP300 HAT domain as potent acetyltransferase inhibitors.
Kandagalla S, Shekarappa SB, Rimac H, Grishina MA, Potemkin VA, Hanumanthappa M.
Kandagalla S, et al. Among authors: shekarappa sb.
J Mol Graph Model. 2020 Dec;101:107756. doi: 10.1016/j.jmgm.2020.107756. Epub 2020 Sep 16.
J Mol Graph Model. 2020.
PMID: 32979659
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Protein-protein Interaction and Molecular Dynamics of Iturin A Gene on Effector Proteins of Phytophthora infestans.
Kumbar B, Kandagalla S, Bharath BR, Sharath BS, Mahmood R.
Kumbar B, et al. Among authors: sharath bs.
Comb Chem High Throughput Screen. 2021;24(2):259-268. doi: 10.2174/1386207323666200720012054.
Comb Chem High Throughput Screen. 2021.
PMID: 32691704
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A systems biology approach to identify the key targets of curcumin and capsaicin that downregulate pro-inflammatory pathways in human monocytes.
Belenahalli Shekarappa S, Kandagalla S, H Malojirao V, G S PK, B T P, Hanumanthappa M.
Belenahalli Shekarappa S, et al.
Comput Biol Chem. 2019 Dec;83:107162. doi: 10.1016/j.compbiolchem.2019.107162. Epub 2019 Nov 9.
Comput Biol Chem. 2019.
PMID: 31751886
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Exploring the Potential of Capsaicin Against Cancer Metastasis Based on TGF-β Signaling Modulation Through Module-based Network Pharmacology Approachx.
Kandagalla S, Shekarappa SB, Pavan G, Hani U, Hanumanthappa M.
Kandagalla S, et al. Among authors: shekarappa sb.
Curr Drug Discov Technol. 2020;17(5):647-660. doi: 10.2174/1570163816666190515104041.
Curr Drug Discov Technol. 2020.
PMID: 31113351
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