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Discretized model of proteins. I. Monte Carlo study of cooperativity in homopolypeptides
(Georgia Institute of Technology, 1992-12-15)
A discretized model of globular proteins is employed in a Monte Carlo study of the helix-coil transition of polyalanine and the collapse transition of polyvaline. The present lattice realization permits real protein crystal ...
Effect of double bonds on the dynamics of hydrocarbon chains
(Georgia Institute of Technology, 1992-07-15)
Brownian dynamics simulations of isolated 18-carbon chains have been performed, both for saturated and unsaturated hydrocarbons. The effect of one or several (nonconjugated) double bonds on the properties of the chains ...