TY - JOUR
T1 - Vibrational dynamics of folded proteins
T2 - Significance of slow and fast motions in relation to function and stability
AU - Bahar, Ivet
AU - Atilgan, Ali Rana
AU - Demirel, Melik C.
AU - Erman, Burak
PY - 1998
Y1 - 1998
N2 - A single-parameter harmonic Hamiltonian based on local packing density and contact topology is proposed for studying residue fluctuations in native proteins. The internal energy obeys an equipartition law, and free energy changes result from entropy fluctuations only. Frequency wave-number maps show communication between residues involved in slow and fast modes. Fast modes are strongly localized, resulting from the geometric irregularity of the structure. Comparison with experiments shows that slow and fast modes are associated, respectively, with function and stability. Specifically, domain motions and folding cores of HIV-1 protease are accurately identified.
AB - A single-parameter harmonic Hamiltonian based on local packing density and contact topology is proposed for studying residue fluctuations in native proteins. The internal energy obeys an equipartition law, and free energy changes result from entropy fluctuations only. Frequency wave-number maps show communication between residues involved in slow and fast modes. Fast modes are strongly localized, resulting from the geometric irregularity of the structure. Comparison with experiments shows that slow and fast modes are associated, respectively, with function and stability. Specifically, domain motions and folding cores of HIV-1 protease are accurately identified.
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U2 - 10.1103/PhysRevLett.80.2733
DO - 10.1103/PhysRevLett.80.2733
M3 - Article
AN - SCOPUS:0000496772
SN - 0031-9007
VL - 80
SP - 2733
EP - 2736
JO - Physical review letters
JF - Physical review letters
IS - 12
ER -
