papers.bib

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@string{aps = {American Physical Society,}}

@article{ichor_library,
  title={ichor: A Python library for computational chemistry data management and machine learning force field development},
  author={Manchev, Yulian T and Burn, Matthew J and Popelier, Paul LA},
  journal={Journal of Computational Chemistry},
  year={2024},
  publisher={Wiley Online Library},
  selected={true}
}

@article{manchev2024fflux,
  title={FFLUX molecular simulations driven by atomic Gaussian process regression models},
  author={Manchev, Yulian T and Popelier, Paul LA},
  journal={Journal of Computational Chemistry},
  volume={45},
  number={15},
  pages={1235--1246},
  year={2024},
  publisher={Wiley Online Library},
  selected={true}
}

@article{manchev2024modeling,
  title={Modeling Many-Body Interactions in Water with Gaussian Process Regression},
  author={Manchev, Yulian T and Popelier, Paul LA},
  journal={The Journal of Physical Chemistry A},
  volume={128},
  number={42},
  pages={9345--9351},
  year={2024},
  publisher={ACS Publications}
}

@article{lin2020can,
  title={Can a mononuclear iron (III)-superoxo active site catalyze the decarboxylation of dodecanoic acid in UndA to produce biofuels?},
  author={Lin, Yen-Ting and Sta{\'n}czak, Agnieszka and Manchev, Yulian and Straganz, Grit D and de Visser, Sam P},
  journal={Chemistry--A European Journal},
  volume={26},
  number={10},
  pages={2233--2242},
  year={2020},
  publisher={Wiley Online Library}
}

@article{restrepo2017overexpressed,
  title={Overexpressed somatic alleles are enriched in functional elements in Breast Cancer},
  author={Restrepo, Paula and Movassagh, Mercedeh and Alomran, Nawaf and Miller, Christian and Li, Muzi and Trenkov, Chris and Manchev, Yulian and Bahl, Sonali and Warnken, Stephanie and Spurr, Liam and others},
  journal={Scientific Reports},
  volume={7},
  number={1},
  pages={8287},
  year={2017},
  publisher={Nature Publishing Group UK London}
}