Balanced and Bias-Corrected Computation of Conformational Entropy Differences for Molecular Trajectories

Jorge Numata; Ernst-Walter Knapp

doi:10.1021/ct200910z

journal article Mar 30, 2012

Balanced and Bias-Corrected Computation of Conformational Entropy Differences for Molecular Trajectories

Jorge Numata Ernst-Walter Knapp

Journal of Chemical Theory and Computation Vol. 8 No. 4 pp. 1235-1245 · American Chemical Society (ACS)

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Published: Mar 30, 2012
Vol/Issue: 8(4)
Pages: 1235-1245

Authors

J

Jorge Numata

Department of Biology, Chemistry and Pharmacy, Institute of Chemistry and Biochemistry, Fabeckstrasse 36a, 14195 Berlin, Germany

E

Ernst-Walter Knapp

Department of Biology, Chemistry and Pharmacy, Institute of Chemistry and Biochemistry, Fabeckstrasse 36a, 14195 Berlin, Germany

Cite This Article

Jorge Numata, Ernst-Walter Knapp (2012). Balanced and Bias-Corrected Computation of Conformational Entropy Differences for Molecular Trajectories. Journal of Chemical Theory and Computation, 8(4), 1235-1245. https://doi.org/10.1021/ct200910z

Balanced and Bias-Corrected Computation of Conformational Entropy Differences for Molecular Trajectories

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