Palani Kirubakaran

Rationalizing PROTAC-Mediated Ternary Complex Formation Using Rosetta

Nan Bai, Sven A. Miller, Grigorii Andrianov et al. · Journal of Chemical Information and Modeling · 2021 · 143 citations · Full text

Protein Assembly, Productive Ternary Complex, Ternary Complex Formation +16

Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease

Khuraijam Dhanachandra Singh, Palani Kirubakaran, Shanthi Nagarajan et al. · Journal of Molecular Modeling · 2011 · 96 citations

Virus Structure, Viral Replication, Molecular Virology +11

Pharmacophore filtering and 3D-QSAR in the discovery of new JAK2 inhibitors

Khuraijam Dhanachandra Singh, Karthikeyan Muthusamy, Palani Kirubakaran et al. · Journal of Molecular Graphics and Modelling · 2011 · 52 citations

Medicinal Chemistry, Drug Target, New Jak2 Inhibitors +10

Exquisite ligand stereoselectivity of a Drosophila juvenile hormone receptor contrasts with its broad agonist repertoire

Lenka Bittova, Pavel Jedlička, Martin Dračínský et al. · Journal of Biological Chemistry · 2018 · 50 citations · Full text

Ligand-based pharmacophore modeling; atom-based 3D-QSAR analysis and molecular docking studies of phosphoinositide-dependent kinase-1 inhibitors

Karthikeyan Muthusamy, K. H. D. Singh, S Nagamani et al. · Indian Journal of Pharmaceutical Sciences · 2012 · 30 citations · Full text

Drug Target, Phosphoinositide-dependent Kinase-1, Medicinal Chemistry +18