BibTeX records: Steven R. Shave

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@article{DBLP:journals/bib/McGibbonSDGHXYSB23,
  author       = {Miles McGibbon and
                  Steven R. Shave and
                  Jie Dong and
                  Yumiao Gao and
                  Douglas R. Houston and
                  Jiancong Xie and
                  Yuedong Yang and
                  Philippe Schwaller and
                  Vincent Blay},
  title        = {From intuition to {AI:} evolution of small molecule representations
                  in drug discovery},
  journal      = {Briefings Bioinform.},
  volume       = {25},
  number       = {1},
  year         = {2023},
  url          = {https://doi.org/10.1093/bib/bbad422},
  doi          = {10.1093/BIB/BBAD422},
  timestamp    = {Sat, 13 Jan 2024 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/bib/McGibbonSDGHXYSB23.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jossw/ChenHAS23,
  author       = {Yan{-}Kai Chen and
                  Douglas R. Houston and
                  Manfred Auer and
                  Steven R. Shave},
  title        = {OpenFEPOPS: {A} Python implementation of the {FEPOPS} molecular similarity
                  technique},
  journal      = {J. Open Source Softw.},
  volume       = {8},
  number       = {92},
  pages        = {5763},
  year         = {2023},
  url          = {https://doi.org/10.21105/joss.05763},
  doi          = {10.21105/JOSS.05763},
  timestamp    = {Sun, 31 Dec 2023 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jossw/ChenHAS23.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/ShavePA22,
  author       = {Steven R. Shave and
                  Nhan T. Pham and
                  Manfred Auer},
  title        = {CLAffinity: {A} Software Tool for Identification of Optimum Ligand
                  Affinity for Competition-Based Primary Screens},
  journal      = {J. Chem. Inf. Model.},
  volume       = {62},
  number       = {10},
  pages        = {2264--2268},
  year         = {2022},
  url          = {https://doi.org/10.1021/acs.jcim.2c00285},
  doi          = {10.1021/ACS.JCIM.2C00285},
  timestamp    = {Sat, 13 May 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/ShavePA22.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/ShaveCPA21,
  author       = {Steven R. Shave and
                  Yan{-}Kai Chen and
                  Nhan T. Pham and
                  Manfred Auer},
  title        = {PyBindingCurve, Simulation, and Curve Fitting to Complex Binding Systems
                  at Equilibrium},
  journal      = {J. Chem. Inf. Model.},
  volume       = {61},
  number       = {6},
  pages        = {2911--2915},
  year         = {2021},
  url          = {https://doi.org/10.1021/acs.jcim.1c00216},
  doi          = {10.1021/ACS.JCIM.1C00216},
  timestamp    = {Thu, 16 Sep 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/ShaveCPA21.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/ShaveA13,
  author       = {Steven R. Shave and
                  Manfred Auer},
  title        = {CSBB-ConeExclusion, Adapting Structure Based Solution Virtual Screening
                  to Libraries on Solid Support},
  journal      = {J. Chem. Inf. Model.},
  volume       = {53},
  number       = {12},
  pages        = {3156--3162},
  year         = {2013},
  url          = {https://doi.org/10.1021/ci400371q},
  doi          = {10.1021/CI400371Q},
  timestamp    = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/ShaveA13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/bmcbi/TeoSCSRWT12,
  author       = {Chian Teo and
                  Steven R. Shave and
                  Adam Leow Thean Chor and
                  Abu Salleh and
                  Mohd Basyaruddin Abdul Rahman and
                  Malcolm D. Walkinshaw and
                  Bimo Ario Tejo},
  title        = {Discovery of a new class of inhibitors for the protein arginine deiminase
                  type 4 {(PAD4)} by structure-based virtual screening},
  journal      = {{BMC} Bioinform.},
  volume       = {13},
  number       = {{S-17}},
  pages        = {S4},
  year         = {2012},
  url          = {https://doi.org/10.1186/1471-2105-13-S17-S4},
  doi          = {10.1186/1471-2105-13-S17-S4},
  timestamp    = {Sun, 15 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/bmcbi/TeoSCSRWT12.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/nar/HsinMSHTW11,
  author       = {Kun{-}Yi Hsin and
                  Hugh P. Morgan and
                  Steven R. Shave and
                  Andrew C. Hinton and
                  Paul Taylor and
                  Malcolm D. Walkinshaw},
  title        = {{EDULISS:} a small-molecule database with data-mining and pharmacophore
                  searching capabilities},
  journal      = {Nucleic Acids Res.},
  volume       = {39},
  number       = {Database-Issue},
  pages        = {1042--1048},
  year         = {2011},
  url          = {https://doi.org/10.1093/nar/gkq878},
  doi          = {10.1093/NAR/GKQ878},
  timestamp    = {Sun, 02 Oct 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/nar/HsinMSHTW11.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/ibmrd/ShaveTWSHT08,
  author       = {Steven R. Shave and
                  Paul Taylor and
                  Malcolm D. Walkinshaw and
                  Lorna Smith and
                  Judy Hardy and
                  Arthur S. Trew},
  title        = {Ligand discovery on massively parallel systems},
  journal      = {{IBM} J. Res. Dev.},
  volume       = {52},
  number       = {1-2},
  pages        = {57--68},
  year         = {2008},
  url          = {https://doi.org/10.1147/rd.521.0057},
  doi          = {10.1147/RD.521.0057},
  timestamp    = {Sun, 02 Oct 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/ibmrd/ShaveTWSHT08.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}