Project Grant 2153901
- This National Science Foundation Project Grant of $276,578 will fund research at the University of Michigan-Dearborn to develop a control theoretic framework for guided protein folding and unfolding pathways. The research aims to advance computationally efficient and numerically stable algorithms to accurately predict protein conformational dynamics under the NSF Engineering Directorate's CFDA 47.041 program. Key products include a non-iterative quadratic programming control scheme over...
- The National Science Foundation (NSF) Division of Chemistry awarded a $500,000 Project Grant titled "TOPICS IN PROTEIN AND RNA FOLDING AND DYNAMICS" to the University of Texas at Austin under the Mathematical and Physical Sciences program (CFDA 47.049). This 4-year grant will support Professor Devarajan Thirumalai's research on the computational modeling of protein and RNA interactions and dynamics. Key focus areas include developing new methods to simulate intrinsically disordered...
- The National Science Foundation (NSF) Division of Molecular and Cellular Biosciences awarded a $710,128 Project Grant under the Biological Sciences (CFDA 47.074) program to The Research Foundation For The State University Of New York (SUNY) to conduct collaborative research on the "Energy Landscapes of Designed Cold Unfolding Proteins." The research aims to enhance understanding of the distinct three-dimensional shapes that proteins can adopt at extreme cold temperatures and high...
- 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 National Science Foundation (NSF) Project Grant, awarded under the Engineering program (CFDA 47.041), provides $357,033 to North Dakota State University (NDSU) from August 15, 2023 to July 31, 2026 to support research on protein manipulation and engineering using an electronic biochemical approach. The project aims to develop a single-molecule manipulation technique to study the dynamics of protein-protein interactions, which is critical for understanding the causes of diseases related to...
- This federal Project Grant award from the National Science Foundation's Biological Sciences program (CFDA 47.074) in the amount of $100,000 will support collaborative research to develop deep learning-based "consistency models" that can simulate protein dynamics over long time scales. The goal is to overcome the limitations of current molecular dynamics simulation methods, which are constrained by the need for tiny time steps, in order to unlock new insights into protein behavior and...
- The National Science Foundation (NSF) Computer and Information Science and Engineering (CISE) program awarded a $150,000 project grant to The University of Kentucky Research Foundation to develop deep-learning consistency models for simulating long-time scale protein dynamics. This 2-year project (8/1/2025 - 7/31/2027) aims to address the limitations of current molecular dynamics simulations in capturing the long-duration dynamics crucial for understanding protein folding and aggregation. By...
- This Project Grant award of $1,500,000 from the National Science Foundation's Mathematical and Physical Sciences program (CFDA 47.049) supports research to elucidate the design principles for de novo designed proteins as mechano-responsive junctions in protein-polymer networks. The key products and services to be delivered include: (1) Development of de novo designed proteins that can be readily transformed into junctions within polymer networks. (2) Investigation of the use of de novo...
- This $500,000 federal Project Grant awarded by the National Science Foundation (NSF) under the Mathematical and Physical Sciences program (CFDA 47.049) supports research at Northwestern University to develop de novo designed proteins as mechano-responsive junctions in protein-polymer networks. The key objectives are to: (i) synthesize and computationally simulate de novo designed proteins and their respective protein-polymer networks, and (ii) develop techniques for mechanical characterization...
- This $480,000 Project Grant award from the National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049) supports the development of novel approaches for assembling three-dimensional protein biomaterials. The primary goal is to create "coordinated protein frameworks" (CPFs) - extended protein lattices with defined geometries and tunable distances between the assembled proteins. This work leverages non-canonical amino acids to precisely control the...
This $221,000 National Science Foundation project grant funds research at the University of Texas at Dallas to develop a control theoretic framework for modeling protein folding and unfolding pathways. The goal is to enable accurate in silico prediction of protein conformational dynamics with applications in computer-aided drug design, nano-machine control, and treatment of protein misfolding diseases. The researchers will apply optimization-based nonlinear control methods to guide protein folding and unfolding simulations while respecting biologically realistic rates of change. This aims to overcome limitations of existing physics-based modeling approaches that typically require high computational costs. The framework development will draw on control tools for robot motion planning and integrate sonification of pathway data into STEM education activities. Validation data will come from molecular dynamics simulations and experimental unfolding studies. The work supports the NSF Engineering program's goal of advancing engineering research and education.
Mod # | Description | ReasonForModification | Federal Obligation | Date |
|---|---|---|---|---|
| Not listed | $221.0k | 4/20/22 |