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Random Coil To Globular Thermal Response Of A Protein (H3.1) With Three Knowledge-Based Coarse-Grained Potentials, Ras B. Pandey, Barry L. Farmer
Random Coil To Globular Thermal Response Of A Protein (H3.1) With Three Knowledge-Based Coarse-Grained Potentials, Ras B. Pandey, Barry L. Farmer
Faculty Publications
The effect of temperature on the conformation of a histone (H3.1) is studied by a coarse-grained Monte Carlo simulation based on three knowledge-based contact potentials (MJ, BT, BFKV). Despite unique energy and mobility profiles of its residues, the histone H3.1 undergoes a systematic (possibly continuous) structural transition from a random coil to a globular conformation on reducing the temperature. The range over which such a systematic response in variation of the radius of gyration (Rg) with the temperature (T) occurs, however, depends on the potential, i.e. ΔTMJ ≈ 0.013–0.020, ΔTBT ≈ 0.018–0.026 …