Project Grant R01GM158907
- This National Science Foundation Project Grant of $536,946 will support research at the University of California, San Diego from September 2022 through August 2025 under the Mathematical and Physical Sciences program (CFDA 47.049). The award will fund the development of rigorous scientific theories and powerful computational tools to model biomolecular interactions. Researchers will design advanced numerical methods to simulate drug and protein binding/unbinding kinetics, incorporating molecular...
- This Project Grant award of $501,000.00, provided by the National Institute of General Medical Sciences (NIGMS) under the Biomedical Research and Research Training program (CFDA 93.859), supports research by The Regents of the University of California, San Francisco (UCSF) to develop simulation-based models that can more accurately interpret experimental data in structural biology. The goal is to enhance understanding of how macromolecules communicate and interact, which is vital for advancing...
- This federal Project Grant award of $1,968,575.00 from the National Institute of General Medical Sciences (NIGMS), under the Biomedical Research and Research Training program (CFDA 93.859), is focused on developing computational approaches and machine learning methods to predict DNA-binding specificities for transcription factor proteins and the functional effects of genetic variants within proteins. The overarching goal is to gain a predictive understanding of proteins, their interactions,...
- This $406,250 Project Grant was awarded on August 1, 2025 by the National Institute of General Medical Sciences (NIGMS) under the Biomedical Research and Research Training program (CFDA 93.859). The project aims to develop novel computational methods that can accurately characterize the reorganization of water structure and its impact on the thermodynamics and kinetics of protein interactions. This will be applied to three specific projects: (1) interactions between reader proteins and...
- This Project Grant award of $356,423.00 was provided on May 15, 2025 by the National Institute of General Medical Sciences (NIGMS) under the Biomedical Research and Research Training program (CFDA 93.859). The grant supports research focused on three main objectives: (a) developing accurate and efficient quantum mechanical (QM) methods based on density functional theory (DFT) for modeling biomolecular interactions, (b) constructing improved protein and biomolecular force fields using...
- This federal Project Grant award of $584,420 from the National Institute of General Medical Sciences (NIGMS), under the Biomedical Research and Research Training program (CFDA 93.859), supports the "Spatiotemporal Mapping and Engineering in the Dark Proteome" research project at the Albert Einstein College of Medicine. The research aims to investigate how protein motions associated with intrinsic disorder contribute to specific biological functions, utilizing methods such as NMR,...
- This $1,970,835 Project Grant award from the National Institute of General Medical Sciences (NIGMS) under the Biomedical Research and Research Training program (CFDA 93.859) supports research at the University of Chicago focused on the multiscale simulation of key biomolecular processes in the cell. The project will employ bottom-up coarse-grained computational models to study protein-protein interactions, protein-mediated membrane remodeling, and the formation and remodeling of actin-based...
- The National Institute of General Medical Sciences (NIGMS) awarded a $401,250 Project Grant under the Biomedical Research and Research Training program (CFDA 93.859) to The Regents of the University of California, Berkeley (UC Berkeley). The grant, with a performance period from September 15, 2025 to July 31, 2030, aims to develop a computational framework that can reliably predict the solubility of drug-related molecular crystals. This effort will involve creating efficient machine learning...
- This federal Project Grant award of $329,976 from the National Institute of General Medical Sciences (NIGMS), under the Biomedical Research and Research Training program (CFDA 93.859), aims to establish a multiscale modeling strategy to simulate ion selectivity in proteins. The principal investigator will utilize novel force fields to conduct molecular dynamics simulations that provide structural, dynamic, and thermodynamic insights into protein-ion interactions. The research aims to analyze the...
- The federal Project Grant award of $420,984.00 from the National Institute of General Medical Sciences (NIGMS) under the Biomedical Research and Research Training program (CFDA 93.859) supports research to develop statistical methods for analyzing deep mutational scanning (DMS) data. The research aims to improve the interpretation of DMS experiments, which can measure how genetic variants affect protein function, in order to better understand the mechanisms underlying basic biology and...
This Project Grant award of $638,334 from the National Institute of General Medical Sciences (NIGMS) under the Biomedical Research and Research Training program (CFDA 93.859) aims to advance the understanding of structural mechanisms underlying protein-small molecule binding and protein function. The project will develop novel computational methods for thermodynamic mapping of proteins, ligands, and surrounding aqueous solvent using molecular dynamics simulations. The goal is to create a deeper understanding of how energy and entropy redistribute in proteins when they bind other molecules, including small molecule drugs. This work builds upon recent advances in the theory of entropy and potential energy density, and the resulting software will be shared on GitHub for community evaluation and use. The award period is from September 8, 2025 to August 31, 2027, and the work will be performed at the University of California, San Diego.
Mod # | Description | ReasonForModification | Federal Obligation | Date |
|---|---|---|---|---|
| Not listed | $638.3k | 9/8/25 |