About Me

I am a computational biophysicist currently serving as a Postdoctoral Research Associate at the Beckman Institute, University of Illinois at Urbana-Champaign. I received my Ph.D. in Computational Biophysics from the Indian Institute of Technology Indore, where my doctoral work, under the mentorship of Dr. Parimal Kar, focused on the computational modeling of Janus kinase and the molecular basis of its inhibition. My research expertise spans large-scale conformational changes in membrane proteins, protein-lipid interactions, molecular recognition, and computer-aided drug discovery, employing advanced molecular dynamics and machine learning techniques. I have authored over 30 peer-reviewed publications, including recent high-impact studies in Nature, and have accumulated more than 700 citations with an h-index of 14. My work has contributed to understanding the molecular mechanisms of protein kinases, neurotransmitter transporters, viral proteins, and drug resistance, with applications ranging from cancer and autoimmune disorders to infectious diseases. My achievements have been recognized with several honors, including the prestigious DST-INSPIRE Fellowship from the Government of India, selection as a 2024 Top Scholar by ScholarGPS (placing me in the top 0.5% of scholars worldwide), and best poster awards at international scientific conferences. I am also actively involved in scientific outreach, mentoring, and peer review, reflecting my dedication to advancing the field of biophysics and supporting the broader scientific community.

Current Position

Postdoctoral Research Associate

Theoretical and Computational Biophysics Group

Department of Biophysics, Chemistry and Biochemistry

Cancer Center at Illinois

Beckman Institute for Advanced Science and Technology 

University of Illinois Urbana-Champaign

Urbana, Illinois, ZIP-61801, USA.

Advisor: Prof. Emad Tajkhorshid (group homepage)

Personal Statement

Proteins are the tiny machines inside all living things, including our own bodies. They help us see light, read the instructions in our DNA, and make us who we are. Proteins do all kinds of jobs like carrying out chemical reactions, interacting with other molecules, and passing messages inside cells to keep us alive and healthy. To work properly, proteins need not only the right ingredients (their amino acid sequence) and shape (their structure) but also the ability to move and change shape at the right time. In my research, I use physics-based computational methods to understand how proteins behave and how they interact with other molecules, such as drugs or parts of a cell. My goal is to develop advanced tools in computational simulations and machine learning models to solve some of the biggest health challenges we face today. This includes studying diseases like cancer or rare infections and designing new treatments, like small proteins or drugs, to fight them. By combining physics and artificial intelligence (AI), my team will aim to uncover how these molecules work and develop smarter ways to stop disease in its tracks.

Education

Doctor of Philosophy (Ph.D.) (2017-2022)

Department of Biosciences and Biomedical Engineering (BSBE)

Indian Institute of Technology Indore

Khandwa Road, Simrol

Madhya Pradesh, India

Advisor: Prof. Parimal Kar (group homepage)

Thesis: Computational Modeling of the Janus Kinase: Investigation of the Conformational Plasticity and Molecular Basis for Inhibitions 

Master of Science (M.Sc.) (2014-2016)

Department of Physics

Aligarh Muslim University

Aligarh, Uttar Pradesh, India

Specialization: Condensed Matter Physics

Bachelor of Science (B.Sc.) (2011-2014)

Department of Physics

Aligarh Muslim University

Aligarh, Uttar Pradesh, India

Honors/Major: Physics

Technical Skills

• Programming & scripting: FORTRAN, Bash, Python

• Operating systems: Windows, Linux, Mac OS

• Scientific softwares: AMBER, NAMD, GROMACS, DESMOND, OPENMM, MOE, MAESTRO, Plumed, Gaussian, VMD, Pymol, ChimeraX

• Graph plotting tools: xmgrace, gnuplot, origin, matplotlib

• Text and image processing: Latex, Microsoft Office, Adobe Photoshop, Adobe Illustrator

Awards & Fellowships

Awards

• Best Poster Award, Symposium on Advances in Biosciences and Bioengineering, IIT Indore, 2019

• Best Poster Award, International Conference on Mathematical Modelling and Scientific Computing, IIT Indore, 2018

Fellowships

• INSPIRE Research Fellowship, Department of Science and Technology, India, 2017    

• The Graduate Aptitude Test in Engineering (GATE), IIT, Roorkee, 2017

• INSPIRE Scholarship for Higher Education, Department of Science and Technology, India, 2014

• INSPIRE Scholarship for Higher Education, Department of Science and Technology, India, 2011

Oral Presentations

1. ACS Springs Meeting: Computers in Chemistry | San Diego | 2025

2. BPS 69th Annual Meeting: Protein-Small Molecule Interactions I | Los Angeles | 2025

3. Indian Biophysical Society Meeting 2022 | Tata memorial Centre, India | 2022

4. Research Conclave 2022 (RC-2022) | IIT Guwahati | 2022 

5. Computer Simulation and Theory of Macromolecules | Göttingen , Germany | 2022 

6. Research & Industrial Conclave 2022 (RIC-2022) | IIT Guwahati, India | 2022 

Poster Presentations

1. BPS 69th Annual Meeting: Protein-Small Molecule Interactions I | Los Angeles | 2025

2. ACS Springs Meeting: Computers in Chemistry | San Diego | 2025

3. International Transmembrane Transporter Society Meeting 2024 | USA | 2024

4. MCB Research Retreat 2024 | UIUC, USA | 2024

5.  MCB Research Retreat 2023 | UIUC, USA | 2023

6. Computer Simulation and Theory of Macromolecules | Göttingen , Germany | 2022

7. Symposium at Centre for Biosystem Science and Engineering | IISC, India | 2022

8. Emerging Area in Biosciences and Biomedical Technologies-2 | IIT Indore | 2020

9. International Conference on Data Science in Biology | IIT Jodhpur | 2020

10. Advances in Biosciences and Bioengineering | IIT Indore | 2019

11. Mathematical Modelling and Scientific Computing | IIT Indore | 2018

12. Industry Academia Conclave | IIT Indore | 2018