Jocelyn Sunseri

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Publications (9)

• Virtual Screening with Gnina 1.0
  Molecules 2021 DOI: 10.3390/molecules26237369
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• Three-Dimensional Convolutional Neural Networks and a Cross-Docked Data Set for Structure-Based Drug Design
  Journal of Chemical Information and Modeling 2020 DOI: 10.1021/acs.jcim.0c00411
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• libmolgrid: Graphics Processing Unit Accelerated Molecular Gridding for Deep Learning Applications
  Journal of Chemical Information and Modeling 2020 DOI: 10.1021/acs.jcim.9b01145
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• Deep Learning Scoring Function for Flexible Molecular Docking
  Zenodo 2019 DOI: 10.5281/zenodo.3470203
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• Deep Learning Scoring Function for Flexible Molecular Docking
  Zenodo 2019 DOI: 10.5281/zenodo.3385972
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• Convolutional neural network scoring and minimization in the D3R 2017 community challenge
  Journal of Computer-Aided Molecular Design 2019 DOI: 10.1007/s10822-018-0133-y
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• A D3R prospective evaluation of machine learning for protein-ligand scoring
  Journal of Computer-Aided Molecular Design 2016 DOI: 10.1007/s10822-016-9960-x
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• Open source molecular modeling
  Journal of Molecular Graphics and Modelling 2016 DOI: 10.1016/j.jmgm.2016.07.008
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• Pharmit: interactive exploration of chemical space
  Nucleic Acids Research 2016 DOI: 10.1093/nar/gkw287
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