Leading artificial intelligence (AI) driven drug discovery and bioinformatics, Dr. Sita Sirisha Madugula is making ...

The Computational Drug Discovery group is part of the Pharmaceutical Design and Discovery Unit, one of the Faculty of Pharmacy nine Units involved in the Drug Research Program. It was created in 2008 ...

Cyclica, a global biotech company headquartered in Toronto, Canada, takes a polypharmacology approach to drug discovery by considering ... given binding site, or on knowledge-based approaches ...

This research contributes to the broader field of computational drug discovery by demonstrating how bioinformatics and molecular modeling can accelerate the identification of novel viral inhibitors.

Computational Biology helps provide a fundamental understanding of complex biological systems and offers the potential to significantly impact a wide variety of technologies, including drug discovery ...

Mohammed J. Zaki, Ph.D., Professor and Department Head of Computer Science at Rensselaer Polytechnic Institute (RPI), has been named a 2025 Fellow of the Society for Industrial and Applied Mathematics ...

Computational chemistry is on the cusp of a new era, in which physics-based models of molecular systems bring new and unexpected insights into drug discovery. With exascale computing power on the ...

For instance, today it is possible to use state-of-the art protein science and structural biology to support a structure-based-drug-design (SBDD) approach that harnesses the power of computational ...