Constant pH molecular dynamics in explicit solvent with lambda-dynamics.

Donnini, S.; Tegeler, F.; Groenhof, G.; Grubmüller, H.

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Constant pH molecular dynamics in explicit solvent with lambda-dynamics.

MPS-Authors

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

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

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Groenhof, G.
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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http://pubs.acs.org/doi/pdfplus/10.1021/ct200061r
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1006609.pdf
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Citation

Donnini, S., Tegeler, F., Groenhof, G., & Grubmüller, H. (2011). Constant pH molecular dynamics in explicit solvent with lambda-dynamics. Journal of Chemical Theory and Computation, 7(6), 1962-1978.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0012-05AC-C

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