FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Atilgan, AR Durell, SR Jernigan, RL Demirel, MC Keskin, O Bahar, I AF Atilgan, AR Durell, SR Jernigan, RL Demirel, MC Keskin, O Bahar, I TI Anisotropy of fluctuation dynamics of proteins with an elastic network model SO BIOPHYSICAL JOURNAL LA English DT Article ID RETINOL-BINDING PROTEIN; PRINCIPAL COMPONENT ANALYSIS; MOLECULAR-DYNAMICS; VIBRATIONAL DYNAMICS; CONCERTED MOTIONS; SINGLE-PARAMETER; FOLDED PROTEINS; DOMAIN MOTIONS; ANHARMONICITY; CONFORMATIONS AB Fluctuations about the native conformation of proteins have proven to be suitably reproduced with a simple elastic network model, which has shown excellent agreement with a number of different properties for a wide variety of proteins. This scalar model simply investigates the magnitudes of motion of individual residues in the structure. To use the elastic model approach further for developing the details of protein mechanisms, it becomes essential to expand this model to include the added details of the directions of individual residue fluctuations. In this paper a new tool is presented for this purpose and applied to the retinol-binding protein, which indicates enhanced flexibility in the region of entry to the ligand binding site and for the portion of the protein binding to its carrier protein. C1 Bogazici Univ, Sch Engn, TR-80815 Bebek, Istanbul, Turkey. Bogazici Univ, Ctr Polymer Res, TR-80815 Bebek, Istanbul, Turkey. TUBITAK, Adv Polymer Mat Res Ctr, TR-80815 Bebek, Istanbul, Turkey. NCI, MSS, LECB, DBS,NIH, Bethesda, MD 20892 USA. Sci Applicat Int Corp, NIH, Frederick, MD 20892 USA. RP Jernigan, RL (reprint author), NCI, MSS, LECB, DBS,NIH, Rm B-116,Bldg 12B, Bethesda, MD 20892 USA. RI Atilgan, Ali Rana/A-7805-2011; Demirel, Melik/E-4495-2010; Jernigan, Robert/A-5421-2012; Demirel, Melik/E-3775-2016 NR 49 TC 773 Z9 790 U1 8 U2 60 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2001 VL 80 IS 1 BP 505 EP 515 PG 11 WC Biophysics SC Biophysics GA 396QH UT WOS:000166647700043 PM 11159421 ER EF