Citation

If you use this work, please cite the following publications:

• Web server [MPZ13]

• Force-field parameters for GROMACS 45A3 and 54A7 [PMG+13]

• Updated phosphate parameters for GROMACS 45A8 [MRO17]

REFERENCES

[MPZ13]

Christian Margreitter, Drazen Petrov, and Bojan Žagrović. ViennaPTM web server: a toolkit for MD simulations of protein post-translational modifications. Nucleic Acids Research, 41(W1):W422–W426, 2013. doi:10.1093/nar/gkt416.

[MRO17]

Christian Margreitter, Maria M. Reif, and Chris Oostenbrink. Update on phosphate and charged post-translationally modified amino acid parameters in the GROMOS force-field. Journal of Computational Chemistry, 38:714–720, 2017. doi:10.1002/jcc.24733.

[PMG+13]

Drazen Petrov, Christian Margreitter, Melanie Grandits, Chris Oostenbrink, and Bojan Žagrović. A systematic framework for molecular dynamics simulations of protein post-translational modifications. PLoS Computational Biology, 9(7):e1003154, 2013. doi:10.1371/journal.pcbi.1003154.