Fifth Paradigm Lab
Fifth Paradigm Lab
Former students and researchers who contributed to the lab's research efforts and are now advancing science and technology across academia and industry.
PhD Thesis: A Theoretical Study on Heteroaromatics and Related Compounds, Pondicherry University, March 2003.
Current Position: Professor & Head, Center for Computational Natural Sciences and Bioinformatics (CCNSB), IIIT Hyderabad.
PhD Thesis: Structural, energetic, and reactivity aspects of model organic compounds, Pondicherry University, May 2004.
Current Position: Professor of Chemistry, Clark Atlanta University.
PhD Thesis: Cation-π and Drug-receptor interaction: Quantum chemical and database analysis, Osmania University, April 2008.
PhD Thesis: Prediction of diene-dienophile reactivity in cycloaddition.
Current Position: Associate Professor, Guru Nanak University, Hyderabad.
PhD Thesis: Design and synthesis of aromatase inhibitors as possible antineoplastic agents, University College of Pharmaceutical Sciences, Kakatiya University, January 2008.
PhD Thesis: Theoretical studies on ion molecules, stacking and cooperativity of nonbonded interactions.
Current Position: DST-Inspire Faculty, University of Delhi.
PhD Thesis: Designing novel organic molecules and reaction mechanisms.
Current Position: Professor, Hangzhou Dianzi University.
PhD Thesis: Cation complexation and effect of solvation in molecules of biological interest: A quantum chemical study, Acharya Nagarjuna University, December 2008.
Current Position: Postdoctoral Research Associate, Physics Dept, Drexel University.
PhD Thesis: Computer aided drug design strategies to model Choline kinase, Phosphodiesterases and Phospholipase inhibitors, Osmania University, December 2008.
PhD Thesis: Theoretical studies on inclusion complexes of cyclodextrins and hydrogen bonding, Osmania University, January 2009
Current Position: Postdoctoral Fellow Department of Information Technology, University of the Cumberlands, Canada
PhD Thesis: Design, synthesis and evaluation of new heterocyclic compounds as novel, anti-inflammatory agents, University College of Pharmaceutical Sciences, Kakatiya University, February 2009
Current Position: Professor at Bharati Vidyapeeth's Poona College of Pharmacy
PhD Thesis: Molecular modelling studies on P-Type ATPases, DNA-Ligand In nteractio and π-π Networks in Proteins, Osmania University, July 2009.
Current Position: Assistant Professor, Amity University.
PhD Thesis: Modeling non-covalent interactions in biological systems, Pondicherry University, Pondicherry University, August 2013.
Current Position: Technical Service Scientist at Millipore Sigma, Redmond, Washington, United States.
PhD Thesis: New lead identification and lead optimization methods on kinases: a computational investigation
Current Position: Senior Computational Research Scientist, St. Jude Children's Research Hospital, Tennessee, USA
PhD Thesis: Non-covalent functionalization of carbon-based nanomaterials: A theoretical study, Osmania University Hyderabad
Current Position: DST Scientist (WOSA), IIT Palakkad.
PhD Thesis: Design of Advanced materials of CO2 Capture: A computational study, Osmania University Hyderabad, December 2014.
Current Position: Research Assistant Professor Department of Chemical Engineering Fukuoka University
PhD Thesis: A comprehensive computational study of aromatic amino acids, their ionic counterparts and dimers, AcSIR, January 2014.
Current Position: Assistant Professor .Guru Nanak Institute of Technical Campus.
PhD Thesis: A theoretical study of main group and transition metal ion complexation with hydrocarbons, Osmania University Hyderabad, April 2014.
Current Position: Assistant Professor of Chemistry Bishop Heber College, Tiruchirappalli
PhD Thesis: Non-covalent Interaction involving cations: A computational study, Osmania University Hyderabad, April 2014.
Current Position: Assistant Professor of Chemistry at Assam Don Bosco University.
PhD Thesis: Computational studies on druggable targets of Mycobacterium Tuberculosis and human immunodeficiency virus, and identification of potential inhibitors, IIIT Hyderabad, August 2015
Current Position: Faculty (Contractual), IISER, Mohali
PhD Thesis: Metal ions in biological systems: a computational study, JNTU Hyderabad, March 2015
Current Position: Postdoctoral Research fellow (DST WoSA) at Universiry of Hyderabad
PhD Thesis: Structure-(Re) Activity Study of Photosensitizers and Drug molecules, AcSIR, November 2019
Current Position: Postdoctoral Research fellow at Oakridge National Laboratory
PhD Thesis: Molecular Property Diagnostic Suite (MPDS): Towards Development of Disease-Specific Web Portals, AcSIR, June 2021.
Current Position: Post-Doctoral Fellow, CSIR-IITR, Lukchnow, UP, India
PhD Thesis: Enumeration and Classification of Chemical Space and Computational Studies on Small Molecular Clusters, AcSIR, 2021.
Current Position: Scientific Researcher at Boltzmann Labs
Current Position: Postdoctoral Researcher, Kansas State University, Manhattan, KS, USA.
Current Position: Data Scientist, Aurigene Pharmaceutical Services Ltd (Dr Reddys Laboratories) Hyderabad, India.
Current Position: IIIT Delhi
Current Position: (PhD is ongoing)
Pondicherry Central University
Project Summary: Understanding of the gut microbiome and its impact on human health. He has engaged in gut microbiota research focusing on implementing Natural Language Processing (NLP) and Large Language Models (LLMs) to analyze gut microbiota studies and explore their links to disease pathogenesis.
Birla Institute of Technology, Mesra, Ranchi
Project Summary: Structure-guided mutagenesis strategies to improve enzyme robustness while preserving catalytic efficiency. This work provided valuable insights into balancing flexibility and stability in cold-adapted enzymes while developing proficiency in computational tools for protein engineering.
Rajiv Gandhi Centre for Biotechnology (RGCB), Thiruvananthapuram
Summer Undergraduate Research Exposure (SURE) Internships 2025
Project Summary: Building of AI-based pipeline to predict drug-induced nephrotoxicity, integrating Generative AI techniques for improved prediction and analysis
VIT Vellore
Summer Undergraduate Research Exposure (SURE) Internships 2025
Project Summary: In-silico design and optimization of guide RNA spacer sequences for CRISPR activation, targeting some specific genes involved in DNA repair and telomere maintenance, and explored their potential links to cellular ageing.
PSG College of Pharmacy, Coimbatore
IAS-NASI-INSA Summer Research Fellowship Programme (2025)
Project Summary: Identification and Designing of transport proteins to increase the yield of medicinally favourable secondary metabolites.
St. Aloysius (Deemed to be University), Mangalore
Summer Research Fellowship Program awarded by the Indian Academy of Sciences
Project Summary: Applications of generative AI in modeling Cardiotoxicity.