RustSASA: A Rust Crate for Accelerated Solvent Accessible Surface Area Calculations

Solvent accessible surface area (SASA) calculations are fundamental for understanding protein structure, function, and dynamics in computational biology, providing insights into protein folding, stability, and intermolecular interactions. The Shrake-Rupley algorithm has served as the standard method since 1973, but existing implementations often become computational
bottlenecks when analyzing large protein datasets or molecular dynamics trajectories.