Hamming distance geometry of a protein conformational space. Application to the clustering of a 4 ns molecular dynamics trajectory of the HIV-1 integrase catalytic core

Protein structures can be encoded into binary sequences, these are used to define a Hamming distance in conformational space: the distance between two different molecular conformations is the number of different bits in their sequences. Each bit in the sequence arises from a partition of conformatio...

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Veröffentlicht in:	arXiv.org 2001-10
Hauptverfasser:	Laboulais, Cyril, Ouali, Mohammed, Marc Le Bret, Gabarro-Arpa, Jacques
Format:	Artikel
Sprache:	eng
Schlagworte:	Catalysis Cluster analysis Clustering Coding Data points Deviation Dynamic structural analysis Molecular dynamics Proteins Sequences Trajectories
Online-Zugang:	Volltext
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