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Autor:
Logan S. Ahlstrom, Kent Ehrlich, Ivan I. Vorontsov, Osamu Miyashita, Sunita Patel, Joseph L. Baker, Florence Tama, Zachary T. Campbell
Publikováno v:
Journal of Molecular Graphics and Modelling. 46:140-149
Effective data reduction methods are necessary for uncovering the inherent conformational relationships present in large molecular dynamics (MD) trajectories. Clustering algorithms provide a means to interpret the conformational sampling of molecules