Extraction of well-fitting substructures: root-mean-square deviation and the difference distance matrix

Extraction of geometrically similar subs

Extraction of geometrically similar substructures: Least-squares and Chebyshev fitting and the difference distance matrix

✍ Arthur M. Lesk 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 127 KB

In analysis, comparison and classification of conformations of proteins, a common computational task involves extractions of similar substructures. Structural comparisons are usually based on either of two measures of similarity: the root-mean-square (r.m.s.) deviation upon optimal superposition, or