Selvaraman Nagamani

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

Molecular descriptor analysis of approved drugs using unsupervised learning for drug repurposing

Sita Sirisha Madugula, Lijo John, Selvaraman Nagamani et al. · Computers in Biology and Medicine · 2021 · 38 citations

Drug Repositioning, Engineering, Drug Target +13

<i>Mycobacterium tuberculosis</i> Cell Wall Permeability Model Generation Using Chemoinformatics and Machine Learning Approaches

Selvaraman Nagamani, G. Narahari Sastry · ACS Omega · 2021 · 30 citations · Full text

Identification of potent inhibitors against snake venom metalloproteinase (SVMP) using molecular docking and molecular dynamics studies

Sathishkumar Chinnasamy, Selvakkumar Chinnasamy, Selvaraman Nagamani et al. · Journal of Biomolecular Structure and Dynamics · 2014 · 28 citations

Drug Target, Protein Assembly, Molecular Dynamics +17

High throughput virtual screening and E-pharmacophore filtering in the discovery of new BACE-1 inhibitors

Karthikeyan Muthusamy, Khuraijam Dhanachandra Singh, Sathishkumar Chinnasamy et al. · Interdisciplinary Sciences Computational Life Sciences · 2013 · 27 citations

Medicinal Chemistry, Virtual Screening, New Bace-1 Inhibitors +11