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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

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The improvement of the algorithm for order parameter calculation (S2) from molecular dynamics simulation using the

V M Dubyna1, D B Kovalskyy, O S Ivanova

  • 1Institute of Molecular Biology and Genetics, 150 Akad. Zabolotny Str, Kyiv-143, 03143, Ukraine. vdubyna@univ.kiev.ua

Biophysical Chemistry
|May 16, 2006
PubMed

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