We empower computational drug discovery
NYAGIM is a growing community of greater New York City area scientists focused on advancing in silico methods in pharmaceutical research, from computational chemistry to machine learning and protein design.
Mission
Connect scientists advancing in silico drug discovery
Foster collaboration and knowledge sharing among academia and industry researchers working at the forefront of computational methods in pharmaceutical research.
Inclusive Forum
We welcome all scientists interested in computational chemistry, medicinal chemistry, chemoinformatics, machine learning, molecular modeling, structural biology, and protein design.
Quarterly Events
We organize regular events featuring scientific seminars, discussions, and networking opportunities for the greater New York City area community.
Upcoming Events
Join the NYAGIM community for quarterly events featuring leading experts in computational drug discovery

Computational Drug Discovery: Beyond Binding
Emerging therapeutic modalities—targeted protein degraders, biased agonists, allosteric modulators, and more—operate beyond occupancy-based inhibition, requiring molecules that reshape conformational landscapes.

Machine Learning in Drug Design
Join us for an exciting discussion on the latest advances in machine learning applications for computational drug design and molecular optimization.

Structural Biology & Protein Design
Explore cutting-edge techniques in structural biology and how they inform modern protein design strategies for therapeutic development.
We routinely post events on MeetUp for easy registration and community updates
Our Sponsors
We're grateful to our sponsors who make NYAGIM events and community activities possible
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Get in TouchJoin the NYAGIM Community
Connect with fellow scientists from academia and industry working at the forefront of computational drug discovery. Be part of our quarterly events, scientific discussions, and networking opportunities.
Open to all scientists interested in in silico methods and drug discovery