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Here, we propose a novel technique termed “functional mode analysis” that aims to detect the collective motion that is directly related to a particular protein ...
Based on an ensemble of structures, together with an arbitrary "functional quantity" that quantifies the functional state of the protein, the technique detects ...
Here, we propose a novel technique termed 'functional mode analysis' that aims to detect the collective motion that is directly related to a particular protein ...
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Aug 28, 2009 · A state-of-the-art approach to elucidate collective motions from the protein dynamics is principal component analysis (PCA) [9]–[12]. PCA is ...
A novel technique termed “functional mode analysis” is proposed that aims to detect the collective motion that is directly related to a particular protein ...
Functional mode analysis of the RMSD of leucine-binding protein (LBP) with respect to its apo structure. (A) Apo structure of LBP in cartoon and surface ...
The new approach is illustrated using a number of biomolecules, including a polyalanine-helix, T4 lysozyme, Trp-cage, and leucine-binding protein. Author ...
Feb 27, 2023 · Direct coupling analysis (DCA) provides a global statistical model for analyzing multiple sequence alignment (MSA) data and evaluates the ...
Hub, Jochen S. ; de Groot, Bert L. Editors: Nussinov, Ruth; Issue Date: 2009; Journal: PLoS Computational Biology; eISSN: 1553- ...
A crucial first step of such an analysis is the identification of suitable and relevant input coordinates (the so-called features), such as backbone dihedral ...