Molecular docking, 3D QSAR and dynamics simulation studies of imidazo-pyrrolopyridines as janus kinase 1 (JAK 1) inhibitors. - Ramesh Itteboina; Srilata Ballu; Sree Kanth Sivan; Vijjulatha Manga (Comput. Biol. Chem., 2016)

Identification of novel anti cancer agents by applying insilico methods for inhibition of TSPO protein. - Manan Bhargavi; Sree Kanth Sivan; Sarita Rajender Potlapally (Comput. Biol. Chem., 2017)

Rational design of methicillin resistance staphylococcus aureus inhibitors through 3D-QSAR, molecular docking and molecular dynamics simulations. - Srilata Ballu; Ramesh Itteboina; Sree Kanth Sivan; Vijjulatha Manga (Comput. Biol. Chem., 2018)

Computational studies on N-phenyl pyrrole derivatives as MmpL3 inhibitors in Mycobacterium tuberculosis. - RamaKrishna Munnaluri; Saikiran Reddy Peddi; Sree Kanth Sivan; Vijjulatha Manga (Comput. Biol. Chem., 2019)

Computational design, synthesis and evaluation of new sulphonamide derivatives targeting HIV-1 gp120. - Radhika Vangala; Sree Kanth Sivan; Saikiran Reddy Peddi; Vijjulatha Manga (J. Comput. Aided Mol. Des., 2020)