onsite

Citations and References

This document provides comprehensive citations for all algorithms implemented in the onsite package, including original manuscripts, related work, and implementation references.

Algorithm Citations

AScore Algorithm

Primary Citation

Beausoleil, S. A., Villén, J., Gerber, S. A., Rush, J., & Gygi, S. P. (2006). A probability-based approach for high-throughput protein phosphorylation analysis and site localization. Nature Biotechnology, 24(10), 1285-1292.

DOI: 10.1038/nbt1240

BibTeX:

@article{beausoleil2006probability,
  title={A probability-based approach for high-throughput protein phosphorylation analysis and site localization},
  author={Beausoleil, Sean A and Vill{\'e}n, Judit and Gerber, Scott A and Rush, John and Gygi, Steven P},
  journal={Nature Biotechnology},
  volume={24},
  number={10},
  pages={1285--1292},
  year={2006},
  publisher={Nature Publishing Group}
}

PhosphoRS Algorithm

Primary Citation

Taus, T., Köcher, T., Pichler, P., Paschke, C., Schmidt, A., Henrich, C., & Mechtler, K. (2011). Universal and confident phosphorylation site localization using phosphoRS. Journal of Proteome Research, 10(12), 5354-5362.

DOI: 10.1021/pr200611n

BibTeX:

@article{taus2011universal,
  title={Universal and confident phosphorylation site localization using phosphoRS},
  author={Taus, Thomas and K{\"o}cher, Thomas and Pichler, Peter and Paschke, Christian and Schmidt, Andreas and Henrich, Christian and Mechtler, Karl},
  journal={Journal of Proteome Research},
  volume={10},
  number={12},
  pages={5354--5362},
  year={2011},
  publisher={ACS Publications}
}

LucXor (LuciPHOr2) Algorithm

Primary Citations

LuciPHOr (2013): Fermin, D., Walmsley, S. J., Gingras, A. C., Choi, H., & Nesvizhskii, A. I. (2013). LuciPHOr: algorithm for phosphorylation site localization with false localization rate estimation using modified target-decoy approach. Molecular & Cellular Proteomics, 12(11), 3409-3419.

DOI: 10.1074/mcp.M113.028928

BibTeX:

@article{fermin2013luciphor,
  title={LuciPHOr: algorithm for phosphorylation site localization with false localization rate estimation using modified target-decoy approach},
  author={Fermin, Damian and Walmsley, Scott J and Gingras, Anne-Claude and Choi, Hyungwon and Nesvizhskii, Alexey I},
  journal={Molecular \& Cellular Proteomics},
  volume={12},
  number={11},
  pages={3409--3419},
  year={2013},
  doi={10.1074/mcp.M113.028928}
}

LuciPHOr2 (2015): Fermin, D., Avtonomov, D., Choi, H., & Nesvizhskii, A. I. (2015). LuciPHOr2: site localization of generic post-translational modifications from tandem mass spectrometry data. Bioinformatics, 31(7), 1141-1143.

DOI: 10.1093/bioinformatics/btu788

BibTeX:

@article{fermin2015luciphor2,
  title={LuciPHOr2: site localization of generic post-translational modifications from tandem mass spectrometry data},
  author={Fermin, Damian and Avtonomov, Dmitry and Choi, Hyungwon and Nesvizhskii, Alexey I},
  journal={Bioinformatics},
  volume={31},
  number={7},
  pages={1141--1143},
  year={2015},
  doi={10.1093/bioinformatics/btu788}
}

Software and Framework Citations

PyOpenMS

Röst, H. L., Sachsenberg, T., Aiche, S., Bielow, C., Weisser, H., Aicheler, F., Andreotti, S., Ehrlich, H. C., Gutenbrunner, P., Kenar, E., Liang, X., Nahnsen, S., Nilse, L., Pfeuffer, J., Rosenberger, G., Rurik, M., Schmitt, U., Veit, J., Walzer, M., Wojnar, D., Wolski, W. E., Schilling, O., Choudhary, J. S., Malmström, L., Aebersold, R., Reinert, K., & Kohlbacher, O. (2016). OpenMS: a flexible open-source software platform for mass spectrometry data analysis. Nature Methods, 13(9), 741-748.

DOI: 10.1038/nmeth.3959

OpenMS

Kohlbacher, O., Reinert, K., Gröpl, C., Lange, E., Pfeifer, N., Schulz-Trieglaff, O., & Sturm, M. (2007). TOPP–the OpenMS proteomics pipeline. Bioinformatics, 23(2), e191-e197.

DOI: 10.1093/bioinformatics/btl299

compomics-utilities

Barsnes, H., Vaudel, M., Colaert, N., Helsens, K., Sickmann, A., Berven, F. S., & Martens, L. (2011). compomics-utilities: an open-source Java library for computational proteomics. BMC Bioinformatics, 12, 70.

DOI: 10.1186/1471-2105-12-70

NumPy

Harris, C. R., Millman, K. J., van der Walt, S. J., Gommers, R., Virtanen, P., Cournapeau, D., Wieser, E., Taylor, J., Berg, S., Smith, N. J., Kern, R., Picus, M., Hoyer, S., van Kerkwijk, M. H., Brett, M., Haldane, A., Del Río, J. F., Wiebe, M., Peterson, P., Gérard-Marchant, P., Sheppard, K., Reddy, T., Weckesser, W., Abbasi, H., Gohlke, C., & Oliphant, T. E. (2020). Array programming with NumPy. Nature, 585(7825), 357-362.

DOI: 10.1038/s41586-020-2649-2

SciPy

Virtanen, P., Gommers, R., Oliphant, T. E., Haberland, M., Reddy, T., Cournapeau, D., Burovski, E., Peterson, P., Weckesser, W., Bright, J., van der Walt, S. J., Brett, M., Wilson, J., Millman, K. J., Mayorov, N., Nelson, A. R. J., Jones, E., Kern, R., Larson, E., Carey, C. J., Polat, İ., Feng, Y., Moore, E. W., VanderPlas, J., Laxalde, D., Perktold, J., Cimrman, R., Henriksen, I., Quintero, E. A., Harris, C. R., Archibald, A. M., Ribeiro, A. H., Pedregosa, F., van Mulbregt, P., & SciPy 1.0 Contributors. (2020). SciPy 1.0: fundamental algorithms for scientific computing in Python. Nature Methods, 17(3), 261-272.

DOI: 10.1038/s41592-019-0686-2

Methodological References

Phosphorylation Site Localization

False Discovery Rate

Mass Spectrometry

Implementation References

Python Implementation

Multi-threading

How to Cite onsite

If you use onsite in your research, please cite:

onsite Package

onsite: Mass spectrometry post-translational 
modification localization tool. https://github.com/bigbio/onsite

Algorithm-Specific Citations

For AScore

Beausoleil, S. A., et al. (2006). A probability-based approach for high-throughput 
protein phosphorylation analysis and site localization. Nature Biotechnology, 
24(10), 1285-1292.

For PhosphoRS

Taus, T., et al. (2011). Universal and confident phosphorylation site 
localization using phosphoRS. Journal of Proteome Research, 10(12), 5354-5362.

For LucXor (LuciPHOr2)

Fermin, D., Walmsley, S. J., Gingras, A. C., Choi, H., & Nesvizhskii, A. I. (2013). 
LuciPHOr: algorithm for phosphorylation site localization with false localization rate 
estimation using modified target-decoy approach. Molecular & Cellular Proteomics, 
12(11), 3409-3419.

Fermin, D., Avtonomov, D., Choi, H., & Nesvizhskii, A. I. (2015). LuciPHOr2: site 
localization of generic post-translational modifications from tandem mass spectrometry 
data. Bioinformatics, 31(7), 1141-1143.

Additional Resources

Online Documentation

Tutorials and Examples

Community and Support

License and Acknowledgments

This software is licensed under the MIT License. See the LICENSE file for details.

Acknowledgments

onsite builds upon the excellent work of the original algorithm developers and the OpenMS community. We thank all contributors and users for their feedback and support.

Contributing

We welcome contributions to onsite. Please see our Contributing Guidelines for more information.