Research Theme I: Molecular Condensation and Phase Behavior 

Research Theme II: Chemical Programming of Molecular Function 

Research Vision

Small chemical modifications frequently produce disproportionately large changes in biological activity. Yet the physical mechanisms by which subtle perturbations alter molecular recognition, aggregation, and transport remain poorly understood.

Our research investigates how chemical substitutions—including methylation, halogenation, and related functional modifications—reprogram molecular interactions across multiple scales. Using molecular simulations and statistical mechanics, we aim to establish predictive design principles that connect molecular chemistry to collective molecular behavior and therapeutic function.

Current Research Directions

•Drug Discovery - Enhancing drug potency through molecular perturbation, Physics-guided rational molecular design

•Biomolecular Organization - Chemical control of amyloid aggregation, Molecular mechanisms of protein self-assembly

•Transport & Molecular Function - Engineering molecular transport in complex biological environments, Hydration-mediated regulation of molecular interactions

Ultimately, our goal is to transform empirical medicinal chemistry into a predictive physics-based framework.

Featured Publications

•PCCP (2025): Established a mechanistic framework for understanding how subtle chemical perturbations reshape molecular interactions and drug potency.

Ongoing Research — Understanding chemically regulated protein aggregation and self-assembly.

Research Theme III: Physics and Biology of Polymer Degradation 

Research Vision

The persistence of polyolefins in the environment remains one of the most pressing challenges in polymer science. We seek to understand the molecular mechanisms governing biological degradation of chemically inert polymers.

Our research integrates particle engineering, microbiology, molecular simulations, and enzymology to identify the physical and biochemical pathways that enable microbial degradation of polyethylene and polypropylene.

Current Status: ANRF Research Grant (2026–2029)

Project Focus: Engineering biological pathways for sustainable degradation of persistent polyolefins through molecular-level understanding of enzyme–polymer interactions.

Current Research Directions

•Polymer Engineering – Controlling crystallinity of polyolefins, Structure–property relationships of polyolefins

•Microbial & Enzymatic Discovery - Microbial screening for polymer degradation, Discovery of polyethylene- and polypropylene-degrading enzymes

•Molecular Engineering - Molecular simulations of enzyme–polymer interactions, Protein engineering for enhanced degradation activity

•Mechanistic Understanding - Biodegradation kinetics, Molecular pathways of polymer depolymerization

Translational Vision: This research is expected to generate patentable technologies for sustainable polymer recycling and industrial biotechnology. Public disclosure is intentionally limited while intellectual property is under development.

Industrial Collaboration: We welcome collaborations with industrial partners interested in sustainable polymer degradation, enzyme engineering, and circular polymer technologies.

We use different approaches to study the physics of each problem –

•Theoretical – Molecular Dynamics Simulations, Enhanced sampling analysis (Umbrella Sampling),  Population Balance Models, Monte Carlo Simulations, Scaling theory in polymer physics, ML protein engineering etc.

•Experimental – Scattering experiments such as FCS, DLS, SAXS to study molecular arrangements of soft matter, Rheology and Thermal analysis (TGA, DSC) to understand structure property relationships, wet-lab enzymology, bacterial culture, CO2 assay etc.