Computational Biology & Structural Bioinformatics Lab

My research operates at the nexus of structural dynamics and systems biology. I am deeply fascinated by how microscopic conformational changes dictate macroscopic physiological outcomes. Whether I am running complex molecular dynamics to understand the transient folding of nucleic acids or decoding the massive transcriptomic payloads of extracellular vesicles, my focus remains constant: extracting high-signal biological data to design next-generation therapeutics and non-invasive diagnostics

Research Domains

Extracellular Vesicles Lipid Bilayer Model

Extracellular Vesicles (EVs)

Exploring the communication networks of cells. I am deeply interested in how these lipid bilayer particles facilitate intercellular communication and their potential as highly targeted, non-immunogenic drug delivery vehicles in precision medicine.

3D Molecular Model of a G-Quadruplex Structure

Dynamics of G-Quadruplex

Investigating the non-canonical nucleic acid structures formed by guanine-rich sequences. My focus lies in understanding their thermodynamic stability, folding kinetics, and their regulatory roles in gene expression and oncogenesis.

Structure Based Drug Design

Structure-Based Drug Design

Bridging computational modeling with biophysics. I utilize advanced molecular docking and molecular dynamics (MD) simulations to predict ligand-receptor interactions, optimizing binding affinities before transitioning to wet-lab synthesis.

Ongoing Projects

In Progress • IIT Hyderabad

Computational exploration on the conformational dynamics of diagonal loop in G-quadruplex

Under Review

A Co-expressed serum sEV miRNA signature serves as a diagnostic biomarker in colorectal cancer.

In Progress • CSIR CFTRI

Transcriptomic analysis of Serum Extracellular Vesicles unravels novel biomarkers in Breast Cancer.

In Progress

Bifunctional Small Molecules to Recruit Clearance Mechanisms using SBDD.

Beyond the Lab

Playing Cricket

Cricket & Strategy

A medium pacer on the pitch and a massive fan of Rohit Sharma and the Mumbai Indians. I appreciate the tactical mechanics of the game as much as the athletic execution.

Ashwath Kumar wearing medals

Athletic Adaptability

I believe in constantly challenging my physical and mental adaptability. Currently mastering a new rotation of sports, including table tennis, basketball, volleyball, and squash.

Ashwath Kumar giving doing a Journal Club Session

Teaching & Mentoring

I have a profound passion for education. I thrive on breaking down highly complex biological and business frameworks to mentor the next generation of deep-tech thinkers.

Ashwath Kumar conducting a event

Performer

Whether choreographing a dance routine or hosting a live event, I thrive under the spotlight. It is an exhilarating way to channel my creative energy and master the art of spontaneous audience engagement.