Professional Activities
Selected professional activities, including editorial leadership, Research Topic editing,
conference presentations, workshops, invited seminars, peer review service, academic service,
scientific outreach, training, awards, and media coverage. These activities reflect my engagement
across computational chemistry, bioinformatics, molecular modeling, food protein science,
peptide research, drug discovery, and computational structural biology.
2
Research Topic initiatives
14+
Conferences & workshops
30+
Peer review assignments
2013–2026
Academic activity timeline
All
Editorial
Talks
Posters
Academic Service
Peer Review
News & Media
Awards
Training
Outreach
Editorial & Research Topic Leadership
Selected editorial and Research Topic activities reflecting engagement in computational
structural biology, peptide science, molecular modeling, machine learning, and drug discovery.
Topic Leadership
Advancing Protein and Peptide Research through Multiscale Modelling and Machine Learning
Frontiers in Molecular Biosciences · Biological Modeling and Simulation
Serving as Topic Editor for a Research Topic focused on multiscale modeling,
machine learning, graph neural networks, enhanced sampling, protein and peptide
structure–dynamics, empirical force fields, and AI-assisted biomolecular design.
Computational and AI-Driven Drug Discovery for Targeting Multidrug Efflux Proteins
Frontiers in Drug Discovery · Research Topic proposal under development
Research Topic proposal being developed around computational modeling,
AI-driven drug discovery, multidrug resistance, efflux proteins, molecular screening,
ligand optimization, resistance mechanisms, and structure-based therapeutic design.
2026
Under development
Drug discovery
Conferences, Workshops & Presentations
Selected invited seminars, oral presentations, PowerPoint presentations, poster presentations,
and academic workshop contributions.
2013–2024
Academic Service, Training & Outreach
Selected academic activities involving industrial collaboration, computational training,
hands-on workshops, and science outreach.
Service & Training
Industrial Project on Cyclodextrin–Drug Complexes
Computational modeling and molecular simulation-based industry-linked project
Studied cyclodextrin–drug complexes using electronic structure calculations,
molecular dynamics simulations, and machine learning approaches to understand
host–guest binding, molecular stability, and complexation behavior.
Industrial project
QM / MD / ML
Drug Discovery Hackathon: Molecular Docking, Simulation & Text Mining
Training and hands-on computational drug discovery sessions
Delivered lectures on molecular docking, molecular simulation, and text mining.
Conducted hands-on sessions on molecular dynamics simulations using GROMACS
and text mining workflows using RStudio.
Lecturer / Trainer
GROMACS
RStudio
CSIR–Jigyasa Student–Scientist Connect Program
Science outreach and student interaction program
Participated in CSIR–Jigyasa outreach activities by visiting schools and interacting
with students and faculty members. Explained the purpose of the program and how
students can connect with scientists across India to build scientific curiosity and awareness.
Outreach
Student engagement
Bioinformatics and Genome Analysis Training
Hands-on student training in computational biology
Assisted in training students in computational genome analysis and bioinformatics workflows,
contributing to practical skill development in sequence analysis and computational biology.
Bioinformatics
Training
Peer Review Service
Reviewer for manuscripts across journals in food science, biomolecular research,
computational biology, molecular biosciences, microbiology, pharmacology, and sustainability.
30+ Reviews
Counts indicate approximate number of reviewed manuscripts. Journal links open official journal pages.
News, Media, Awards, Training & Outreach
Selected press clips and online mentions highlighting awards, outreach, training,
and science engagement activities.
Media Highlights