Collaborative Research: On calculating polar solvation and binding energies for non-rigid — NSF Award to University of Alabama Tus
Electrostatic free energy (EFE) calculations are indispensable for the quantitative analysis of biological processes, as they characterize the polar interactions between charged biomolecules such as proteins, DNA and RNA, and their surrounding ionic solvent environments. As one of the most widely used implicit solvent
| Award title | Collaborative Research: On calculating polar solvation and binding energies for non-rigid |
|---|---|
| Award ID | 2512104 |
| Awardee | University of Alabama Tuscaloosa |
| City | TUSCALOOSA |
| State | AL |
| Amount obligated | $332,241 |
| Principal investigator | Shan Zhao |
| Program | Chem Thry, Mdls & Cmptnl Mthds, MSPA-INTERDISCIPLINARY, MATHEMATICAL BIOLOGY |
| Start date | 09/01/2025 |
| Abstract | Electrostatic free energy (EFE) calculations are indispensable for the quantitative analysis of biological processes, as they characterize the polar interactions between charged biomolecules such as proteins, DNA and RNA, and their surrounding ionic solvent environments. As one of the most widely used implicit solvent models, the Poisson-Boltzmann (PB) model computes EFE as the difference between PB energies of biomolecules in two reference states, typically vacuum and solvent. The success of cl |
| Source | NSF Awards |
$799/mo
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