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Inhibitor binding alters directions of motions in HIV reverse transcriptase |
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N. Alpay Temiz and Ivet Bahar, Proteins 49, 61-70, 2002 |
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"Anisotropy of fluctuation dynamics of proteins with an elastic network model" Atilgan, AR, Durrell, SR, Jernigan, RL, Demirel, MC, Keskin, O. & Bahar, I. Biophys. J. 80, 505-515, 2001. (.pdf) |
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Anisotropic Network Model (Atilgan et al., 2001) |
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The anisotropic network model (ANM)
is an extension of the GNM to the 3N-d space of collective modes.
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The inter-residue 'distances' are
controlled by harmonic potentials in the GNM, ANM adopts further assumption
that the three (-x, -y and -z) components of the inter-residue separation
vectors obey Gaussian dynamics.-
G
is replaced by its 3N x 3N counterpart (1/g)H
where H is the Hessian matrix of the second derivatives of the
intermolecular potential V = (g/2)
DRT G
DR.
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