Hierarchical and multi-resolution representation of protein flexibility
Author(s) -
Yong Zhao,
Daniel Stoffler,
Michel F. Sanner
Publication year - 2006
Publication title -
bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.599
H-Index - 390
eISSN - 1367-4811
pISSN - 1367-4803
DOI - 10.1093/bioinformatics/btl481
Subject(s) - computer science , parameterized complexity , flexibility (engineering) , representation (politics) , tree (set theory) , ranging , biological system , intuition , algorithm , theoretical computer science , variety (cybernetics) , molecular dynamics , artificial intelligence , chemistry , mathematics , computational chemistry , mathematical analysis , telecommunications , philosophy , statistics , epistemology , politics , political science , law , biology
Conformational rearrangements during molecular interactions are observed in a wide range of biological systems. However, computational methods that aim at simulating and predicting molecular interactions are still largely ignoring the flexible nature of biological macromolecules as the number of degrees of freedom is computationally intractable when using brute force representations.
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