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Base and salt 3D forms of Emeraldine II polymers by Car-Parrinello molecular dynamics.
Carlo Cavazzoni
Renato Colle
Riccardo Farchioni
Giuseppe Grosso
Published in:
Comput. Phys. Commun. (2005)
Keyphrases
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molecular dynamics
high performance computing
protein folding
molecular dynamics simulations
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state space
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