Conformational analysis of polyalanyl chains

GÖKOĞLU G., Arkin H., Celik T.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, vol.16, no.3, pp.455-463, 2005 (SCI-Expanded) identifier identifier


Including all-atom interactions and solution effects, we have simulated the monoalanine dipeptide and short polyalanyl chains by multicanonical algorithm, in order to determine and compare their low-lying microstates and thermodynamically stable conformations.