Glass transition in DNA from molecular dynamics simulations.
نویسندگان
چکیده
منابع مشابه
Glass transition in DNA from molecular dynamics simulations.
Molecular dynamics simulations of the oligonucleotide duplex d(CGCGCG)2 in aqueous solution are used to investigate the glass transition phenomenon. The simulations were performed at temperatures in the 20 K to 340 K range. The mean square atomic fluctuations showed that the behavior of the oligonucleotide duplex was harmonic at low temperatures. A glass transition temperature at 223 K to 234 K...
متن کاملLiquid-to-glass transition in bulk glass-forming Cu60Ti20Zr20 alloy by molecular dynamics simulations.
We report results from molecular dynamics studies concerning the microscopic structure and dynamics of the ternary, bulk metallic glass-forming Cu60Ti20Zr20 alloy. In detail we consider the partial radial distribution functions, nearest-neighbor numbers, specific heat, simulated glass temperature, diffusion coefficients, and incoherent intermediate scattering function (ISF). The applied atomic ...
متن کاملMolecular Dynamics Simulations of the Thermal Glass Transition in Polymer Melts: α-Relaxation Behaviour
We present Molecular Dynamics simulations of the thermal glass transition in a dense model polymer liquid. We performed a comparative study of both constant volume and constant pressure cooling of the polymer melt. Great emphasis was laid on a careful equilibration of the dense polymer melt at all studied temperatures. Our model introduces competing length scales in the interaction to prevent a...
متن کاملMolecular dynamics simulations of protein folding from the transition state.
Putative transition-state ensemble (TSE) conformations of src SH3 were identified by monitoring the deviation from the experimental phi values along molecular dynamics (MD) simulations of unfolding. Sixty MD trajectories (for a total of about 7 micros) were then started from the putative TSE. About one-half of the 60 runs reached the folded state while unfolding was observed in the remaining ha...
متن کاملMolecular dynamics simulations of melting and the glass transition of nitromethane.
Molecular dynamics simulations have been used to investigate the thermodynamic melting point of the crystalline nitromethane, the melting mechanism of superheated crystalline nitromethane, and the physical properties of crystalline and glassy nitromethane. The maximum superheating and glass transition temperatures of nitromethane are calculated to be 316 and 160 K, respectively, for heating and...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 1996
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.93.19.10173