The Journal of Chemical Physics · 1979 · 88 citations · 4 references
Natural SciencesBiophysicsMolecular BiophysicsMolecular PhysicsPolymer ChemistryConformational ChangeMolecular DynamicsPolymer Chain ConformationPolymer ConformationPolymer PhysicsPolymer SimulationActivation EnergyBrownian DynamicsBrownian Dynamics ModelingBrownian Dynamics SimulationConformational TransitionsMolecular Dynamics Simulation Of Polymer ConformationPolymer Chain DynamicsPolymer Statistical Mechanics
Conformational transitions of a macromolecule have been studied by computer simulation of the Brownian dynamics of a polymer chain. An activation energy equal to about one barrier height has been found. However, there is a great deal of cooperativity of transitions especially between bonds which are second nearest neighbors.
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