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Calculation of weakly polar interaction energies in polypeptides using density functional and local Møller-Plesset perturbation theory.
József Csontos
Nicholas Y. Palermo
Richard F. Murphy
Sándor Lovas
Published in:
J. Comput. Chem. (2008)
Keyphrases
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perturbation theory
graph cuts
social networks
energy function
maximal cliques