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Quantum chemical calculation and binding modes of H1R; a combined study of molecular docking and DFT for suggesting therapeutically potent H1R antagonist.
In Silico Pharmacol. 2019 Feb 25;7(1):1. doi: 10.1007/s40203-019-0050-3. eCollection 2019.
In Silico Pharmacol. 2019.
PMID: 30863716
Free PMC article.
Exploring the potent inhibitors and binding modes of phospholipase A2 through in silico investigation.
Mahmud S, Parves MR, Riza YM, Sujon KM, Ray S, Tithi FA, Zaoti ZF, Alam S, Absar N.
Mahmud S, et al. Among authors: tithi fa.
J Biomol Struct Dyn. 2020 Sep;38(14):4221-4231. doi: 10.1080/07391102.2019.1680440. Epub 2019 Oct 23.
J Biomol Struct Dyn. 2020.
PMID: 31607222
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Assessment of structurally and functionally high-risk nsSNPs impacts on human bone morphogenetic protein receptor type IA (BMPR1A) by computational approach.
Islam MJ, Parves MR, Mahmud S, Tithi FA, Reza MA.
Islam MJ, et al. Among authors: tithi fa.
Comput Biol Chem. 2019 Jun;80:31-45. doi: 10.1016/j.compbiolchem.2019.03.004. Epub 2019 Mar 12.
Comput Biol Chem. 2019.
PMID: 30884445
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