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

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
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article

Armstrong’s Exclusion-Zone SASA Formula and Model

Dylan Armstrong
ChemRxiv
Distributed systems and fault tolerance
article

Armstrong’s Exclusion-Zone SASA Formula and Model

Dylan Armstrong
article en

Abstract

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.

ChemRxiv
Openalex Percentile: Top 77%
Distributed systems and fault tolerance
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Armstrong’s Exclusion-Zone SASA Formula and Model — Dylan Armstrong · ChemRxiv (2025) | TGRS Research Map | TGRS