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What is Biophysica 2 340 352 2022 about?

This article discusses methods for estimating the conformational entropy of biomolecular systems using k-th nearest neighbours (kNN) techniques. It reviews data structures and algorithms that enhance the efficiency of generating nearest neighbours lists, which is critical for entropy estimation, particularly in high-dimensional spaces like torsion angles. The findings indicate that employing appropriate algorithms can significantly reduce computational complexity, addressing a key bottleneck in the process.

Author

Federico Fogolari

Language

EN