BibTeX record journals/jcisd/PlateroRochartKGRS23

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@article{DBLP:journals/jcisd/PlateroRochartKGRS23,
  author       = {Daniel Platero{-}Rochart and
                  Tatyana Krivobokova and
                  Michael Gastegger and
                  Gilbert Reibnegger and
                  Pedro A. S{\'{a}}nchez{-}Murcia},
  title        = {Prediction of Enzyme Catalysis by Computing Reaction Energy Barriers
                  via Steered {QM/MM} Molecular Dynamics Simulations and Machine Learning},
  journal      = {J. Chem. Inf. Model.},
  volume       = {63},
  number       = {15},
  pages        = {4623--4632},
  year         = {2023},
  url          = {https://doi.org/10.1021/acs.jcim.3c00772},
  doi          = {10.1021/ACS.JCIM.3C00772},
  timestamp    = {Fri, 27 Oct 2023 20:40:17 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/PlateroRochartKGRS23.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
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