2024
DOI: 10.1002/open.202400172
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sesA: A Program for the Analytic Computation of Solvent‐Excluded Surface Areas**

Lincong Wang

Abstract: The surface area of a molecule, an inherent geometric property of its structure, plays important roles in its solvation and functioning. Here we present an accurate and robust program, sesA, for the analytic computation of solvent‐excluded surface (SES) areas. The accuracy and robustness are achieved through the analytic computations of all the solvent‐accessible surface (SAS) regions for a surface atom and probe‐probe intersections. The detailed comparisons of the areas for a large set of protein structures b… Show more

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