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Absolute Single-Molecule Entropies from Quasi-Harmonic Analysis of Microsecond Molecular Dynamics: Correction Terms

Riccardo Baron1, Philippe H Hünenberger, J Andrew McCammon

  • 1Department of Chemistry & Biochemistry, Center for Theoretical Biological Physics, Department of Pharmacology, and Howard Hughes Medical Institute, University of California San Diego, La Jolla, California 92093-0365 and Laboratory of Physical Chemistry, ETHZ, ETH Hönggerberg, CH 8093, Zürich, Switzerland.

Journal of Chemical Theory and Computation
|December 17, 2009
PubMed

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