NSF award 2512105 · Clemson University
Collaborative Research: On calculating polar solvation and binding energies for non-rigid proteins in the Poisson-Boltzmann theory: modeling, analysis and application
Final report due
29 December 2028
in 803 days · The award ends on 31 August 2028.
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Dates this award owes
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- Decide about an extension3 May 2028in 563 days
award ending 2028-08-31 · Research.gov
- Extension request17 Jul 2028in 638 days
award ending 2028-08-31 · Research.gov
- No-cost extension notice21 Aug 2028in 673 days
award ending 2028-08-31 · Research.gov
- Final report due29 Dec 2028in 803 days
award ending 2028-08-31 · Research.gov
- Project outcomes report due29 Dec 2028in 803 days
award ending 2028-08-31 · Research.gov
- Award is closed out29 Dec 2028in 803 days
award ending 2028-08-31 · Research.gov
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- NSF lists this award's end date as 31 August 2028.
- NSF rules say the final report is due no later than 120 days after that.
- So the final report is due by 29 December 2028.
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Award card
- Award number
- 2512105
- Period of support
- 1 Sep 2025 – 31 Aug 2028
- Amount
- $174,976
- Awardee
- Clemson University, Clemson, SC
- Program
- Chem Thry, Mdls & Cmptnl Mthds, MSPA-INTERDISCIPLINARY, MATHEMATICAL BIOLOGY
- Directorate
- MPS
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…
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