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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
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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