Generalized-Ensemble MD Simulations of Helix-Coil Transition
نویسندگان
چکیده
منابع مشابه
Exploring the helix-coil transition via all-atom equilibrium ensemble simulations.
The ensemble folding of two 21-residue alpha-helical peptides has been studied using all-atom simulations under several variants of the AMBER potential in explicit solvent using a global distributed computing network. Our extensive sampling, orders of magnitude greater than the experimental folding time, results in complete convergence to ensemble equilibrium. This allows for a quantitative ass...
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ژورنال
عنوان ژورنال: Seibutsu Butsuri
سال: 2001
ISSN: 0582-4052,1347-4219
DOI: 10.2142/biophys.41.s39_1