Combined Computational Drug Design & ECIS Platform
Drug design and lead optimization approach
A drug binding to a pharmacological target can be thought of as 3D shapes fitting together like puzzle pieces. The SCULPT platform extracts these contact points and uses the target topology to systematically build millions of synthetically accessible small molecule to match these features. The essential component of SCULPT is incorporating experimental data and knowledge of the structure of the target into the design process. Dozens of design iterations are performed until candidates with optimal ADMET properties, predicted affinity and molecular diversity are obtained.
In collaboration with Atoms 2 Applications LLC
Atoms 2 Applications LLC, is a pharmaceutical research consulting company specializing in computer-aided drug design and the development of preclinical discovery programs. A2A combines interdisciplinary ingenuity with computational tools to streamline discovery and lead optimization.learn more