Project Grant R43GM134756

This SBIR Phase II Cooperative Agreement, awarded by the National Science Foundation (NSF) under the Technology, Innovation, and Partnerships (TIP) program (CFDA 47.084), provides $1,213,322 in funding to Lavo Life Sciences Inc. to develop a physics-based machine learning platform for predicting the crystal structure of small drug molecules. The objective is to accelerate the development and commercialization of new pharmaceutical products by optimizing drug product formulations and solid forms....

This Project Grant award of $306,872.00 from the National Institute of General Medical Sciences (NIGMS), under the Biomedical Research and Research Training Program (CFDA 93.859), aims to develop a new 3D shape matching methodology that accounts for water molecules when comparing ligands during drug discovery. The key products and services to be delivered include: Adapting an existing algorithm (WATGEN) to predict water positions in unbound proteins and protein-ligand complexes, and calculate...

This Project Grant award from the National Institute of General Medical Sciences (NIGMS), under the Biomedical Research and Research Training program (CFDA 93.859), provides $202,274 to develop an easy-to-use computer program for predicting the structure and degrading efficiency of proteolysis targeting chimeras (PROTACs). PROTACs are heterobifunctional molecules that induce the degradation of target proteins by recruiting them to E3 ubiquitin ligases. The awarded project aims to implement a...

This $220,000 Project Grant award from the National Science Foundation (NSF) under the Computer and Information Science and Engineering (CISE) program supports the development of advanced computational methodologies for drug discovery and development. The primary awardee, the Regents of the University of Minnesota, will create a comprehensive generative AI framework capable of efficiently generating high-quality drug candidates with multiple desired properties. This initiative aims to expedite...

This $554,265 Project Grant award from the National Science Foundation (NSF) under the Mathematical and Physical Sciences federal grant program (CFDA 47.049) aims to develop novel machine learning (ML) and computational approaches for computer-aided drug design (CADD). The project will introduce new mathematical representations of molecular geometries using Ricci curvatures and spectral graph analysis to improve the accuracy of target-ligand binding affinity prediction in virtual screening....

This Project Grant award from the National Institute of General Medical Sciences (NIGMS), under the Biomedical Research and Research Training program (CFDA 93.859), aims to develop state-of-the-art software tools capable of accurately modeling bound drug molecules in receptor structures from cryo-electron microscopy (cryo-EM) data with resolutions up to 5-6 Angstroms. The $217,941 award to Molecular Intelligence LLC, a small business, will run from September 1, 2025 to February 28, 2027. This...

This Cooperative Agreement award from the National Science Foundation (NSF) under the NSF Technology, Innovation, and Partnerships (CFDA 47.084) program provides $999,878 to Akttyva Therapeutics, Inc., a small business located in Watertown, MA, to develop an AI-assisted drug discovery platform to identify existing drugs and new chemical entities capable of repairing vascular permeability barriers. The project aims to address unmet clinical needs for conditions like acute respiratory distress...

The National Institute of General Medical Sciences (NIGMS) awarded a $202,467 Project Grant under the Biomedical Research and Research Training program (CFDA 93.859) to Acpharis, a biotechnology software company based in Holliston, Massachusetts. The grant supports the development of a commercial-quality software product that integrates machine learning with physics-based computational approaches to accurately predict the structures of antibody-antigen complexes. This breakthrough technology,...

This Project Grant award of $404,032 from the National Institute of General Medical Sciences (NIGMS), under the Biomedical Research and Research Training program (CFDA 93.859), aims to develop a machine learning-powered platform for the discovery of peptide ligands for peptide-drug conjugates (PDCs). The key objective is to create a next-generation peptide discovery system capable of identifying PDC leads within 3 months. The platform will utilize a peptide array designed for enhanced protease...

The U.S. National Science Foundation (NSF) awarded a $303,864 Phase I Small Business Innovation Research (SBIR) grant under the NSF Technology, Innovation, and Partnerships (CFDA 47.084) program to Core Biotherapeutics, Inc. (UEI N9FGZ15RQGJ4) located in Ladera Ranch, CA. The project aims to develop a platform for discovering therapeutic drug candidates that can modulate molecular networks driving diseases, with the potential to produce disease-modifying effects for neurodegenerative...