Armstrong’s Exclusion-Zone SASA Formula and Model
The solvent-accessible surface area (SASA) of a molecule is a fundamental metric in computational biochemistry and structural biology. Existing models often rely on geometric approximations and may underrepresent exclusion zones caused by steric hindrance. This work introduces a new analytical approach—Armstrong’s Exclusion-Zone SASA Model—which incorporates atomic radii, bond lengths, and probe radii into a corrected effective radius. A derived exclusion-zone radius formula enables more accurate and computationally efficient SASA estimation. This model can be integrated into SASA workflows with minimal overhead, offering improvements over traditional models.
Authors
- Dylan Armstrong (ORCID: https://orcid.org/0009-0008-2936-703X)
Publication Details
- Journal
- ChemRxiv
- Published
- 2025-08-17
- DOI
- https://doi.org/10.26434/chemrxiv-2025-jtx55-v3
- Primary Topic
- Distributed systems and fault tolerance
- Type
- article
- Field-Weighted Citation Impact
- 0.00