Fast and Interpretable Estimation of Amino Acid Residue Surface Accessibility Based on Protein Contact Graph
Three empirical functions for estimating relative SASA—approx_sasa, surface_score, and exp_sasa—using node degree as the sole argument are proposed and validated and shown to be suitable for large-scale pipelines requiring both speed and interpretability.
A. Timofeev, Alexander Bratchikov, Alexander Anufriev
· Physchem · 0 citations