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Modeling and interactions of Aspergillus fumigatus lanosterol 14-alpha demethylase 'A' with azole antifungals.
Gollapudy R, Ajmani S, Kulkarni SA. Gollapudy R, et al. Bioorg Med Chem. 2004 Jun 1;12(11):2937-50. doi: 10.1016/j.bmc.2004.03.034. Bioorg Med Chem. 2004. PMID: 15142553
Microbiol. 2001, 39(7), 2431-2438), has opened up possibilities of investigating the interactions of azole antifungals with the enzyme(s) from fungi. ...
Microbiol. 2001, 39(7), 2431-2438), has opened up possibilities of investigating the interactions of azole antifungals with the enzyme(s
A comprehensive structure-activity analysis of protein kinase B-alpha (Akt1) inhibitors.
Ajmani S, Agrawal A, Kulkarni SA. Ajmani S, et al. J Mol Graph Model. 2010 Apr;28(7):683-94. doi: 10.1016/j.jmgm.2010.01.007. Epub 2010 Jan 25. J Mol Graph Model. 2010. PMID: 20153226
The conventional QSAR analyses revealed the key role of Baumann's alignment independent topological descriptors along with other descriptors such as the number of hydrogen bond acceptors, hydrogen bond donors, rotatable bonds and aromatic oxygen (SaaOcount) along with mole …
The conventional QSAR analyses revealed the key role of Baumann's alignment independent topological descriptors along with other desc …
Antiprotozoal Nitazoxanide Derivatives: Synthesis, Bioassays and QSAR Study Combined with Docking for Mechanistic Insight.
Scior T, Lozano-Aponte J, Ajmani S, Hernández-Montero E, Chávez-Silva F, Hernández-Núñez E, Moo-Puc R, Fraguela-Collar A, Navarrete-Vázquez G. Scior T, et al. Curr Comput Aided Drug Des. 2015;11(1):21-31. doi: 10.2174/1573409911666150414145937. Curr Comput Aided Drug Des. 2015. PMID: 25872791 Free PMC article.
Toward a general predictive QSAR model for gamma-secretase inhibitors.
Ajmani S, Janardhan S, Viswanadhan VN. Ajmani S, et al. Mol Divers. 2013 Aug;17(3):421-34. doi: 10.1007/s11030-013-9441-2. Epub 2013 Apr 24. Mol Divers. 2013. PMID: 23612850
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