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Probing the accuracy of explicit solvent constant pH molecular dynamics simulations for peptides.

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

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Vemulapalli,  S. P.
Department of NMR Based Structural Biology, MPI for Biophysical Chemistry, Max Planck Society;

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Nath,  N.
Department of NMR Based Structural Biology, MPI for Biophysical Chemistry, Max Planck Society;

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Griesinger,  C.       
Department of NMR Based Structural Biology, 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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Citation

Dobrev, P., Vemulapalli, S. P., Nath, N., Griesinger, C., & Grubmüller, H. (2020). Probing the accuracy of explicit solvent constant pH molecular dynamics simulations for peptides. Biophysical Journal, 118(3, Suppl. 1), 140A-140A.


Cite as: https://hdl.handle.net/21.11116/0000-0005-E4A3-1
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