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Journal Article

Linear-scaling soft-core scheme for alchemical free energy calculations.

MPS-Authors
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Buelens,  F. P.
Department of Theoretical and Computational Biophysics, MPI for biophysical chemistry, Max Planck Society;

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Grubmüller,  H.
Department of Theoretical and Computational Biophysics, MPI for biophysical chemistry, Max Planck Society;

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1289603.pdf
(Publisher version), 202KB

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Citation

Buelens, F. P., & Grubmüller, H. (2012). Linear-scaling soft-core scheme for alchemical free energy calculations. Journal of Computational Chemistry, 33(1), 25-33. doi:10.1002/jcc.21938.


Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-0086-4
Abstract
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