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cond-mat.other2008★ 1 cited
Lipid thermodynamics : melting is molecular
Sailaja Krishnamurty, Milen Stefanov, Tzonka Mineva +5
This computational experiment demonstrates that chain melting in lipids is a molecular process. BOMD is certainly the best method to reproduce such dynamics properties, since the e…
cond-mat.other2008★ 1 cited
DFT-based Conformational Analysis of a Phospholipid Molecule (DMPC)
S. Krishnamurty, M. Stefanov, T. Mineva +5
The conformational space of the dimyristoyl phosphatidylcholine (DMPC) molecule has been studied using Density Functional Theory (DFT), augmented with a damped empirical dispersion…