Principal component analysis of native ensembles of biomolecular structures (PCA_NEST): insights into functional dynamics
Author(s) -
LeeWei Yang,
Eran Eyal,
İvet Bahar,
Akio Kitao
Publication year - 2009
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/btp023
Subject(s) - principal component analysis , biological system , computer science , principal (computer security) , computation , protein dynamics , identification (biology) , molecular dynamics , protein structure , artificial intelligence , pattern recognition (psychology) , algorithm , chemistry , biology , computational chemistry , biochemistry , botany , operating system
To efficiently analyze the 'native ensemble of conformations' accessible to proteins near their folded state and to extract essential information from observed distributions of conformations, reliable mathematical methods and computational tools are needed.
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