New developments of the electrostatically driven Monte Carlo method: Test on the membrane-bound portion of melittin
第一作者:
Ripoll DR.
作者:
关键词
Electrostatically driven monte carlo methodCluster analysisGlobal energy minimumPerturbed conformationsConformational spaceLowest energy conformationsPolypeptide chainMelittinmembrane-bound portionEmpirical conformational energy program for peptides 3Annealing methodsMultiple-minima problemPerdeuterated dodecylphosphocholine micellesIntramolecular conformational optimizationMolecular-dynamics trajectoriesHydrogen-bond interactionsHigh-resolution h-1-nmrOccurring amino-acidsMean field-theoryNonbonded interactionsEnergy parameters
发布时间
2013-11-20
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Biopolymers
117-126页
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