Free energies of hydration from thermodynamic integration: Comparison of molecular mechanics force fields and evaluation of calculation accuracy

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SEEK ID: https://publications.h-its.org/publications/941

SEEK ID: https://publications.h-its.org/publications/941

DOI: 10.1002/(SICI)1096-987X(199703)18:4<449::AID-JCC1>3.0.CO;2-T

Research Groups: Molecular and Cellular Modeling

Publication type: Journal

Journal: Journal of Computational Chemistry

Citation: J. Comput. Chem. 18(4):449-462

Date Published: 1st Mar 1997

Registered Mode: by DOI

Authors: Volkhard Helms, Rebecca C. Wade

Citation
Helms, V., & Wade, R. C. (1997). Free energies of hydration from thermodynamic integration: Comparison of molecular mechanics force fields and evaluation of calculation accuracy. In Journal of Computational Chemistry (Vol. 18, Issue 4, pp. 449–462). Wiley. https://doi.org/10.1002/(sici)1096-987x(199703)18:4<449::aid-jcc1>3.0.co;2-t
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