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      • Lieyang Chen

      3 results in Lieyang Chen in Authors: Lieyang Chen

      Category: Theoretical and Computational Chemistry
      ,
      Working Paper
      , Title:

      Hidden Bias in the DUD-E Dataset Leads to Misleading Performance of Deep Learning in Structure-Based Virtual Screening

      , Authors: Lieyang Chen, Anthony Cruz, Steven Ramsey, Callum J. Dickson, José S. Duca, Viktor Hornak, David R. Koes, Tom Kurtzman
      1,315
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      2
      Citations
      Category: Biological and Medicinal Chemistry
      ,
      Working Paper
      , Title:

      An Online Repository of Solvation Thermodynamic and Structural Maps of SARS-CoV-2 Targets

      , Authors: Brian Olson, Anthony Cruz, Lieyang Chen, Mossa Ghattas, Yeonji Ji, Kunhui Huang, Daniel J. McKay, Tom Kurtzman
      650
      Downloads
      Category: Theoretical and Computational Chemistry
      ,
      Working Paper
      , Title:

      Thermodynamic Decomposition of Solvation Free Energies with Particle Mesh Ewald and Long-Range Lennard-Jones Interactions in Grid Inhomogeneous Solvation Theory

      , Authors: Lieyang Chen, Anthony Cruz, Daniel R. Roe, Andrew Simmonett, Lauren Wickstrom, Nanjie Deng, Tom Kurtzman
      506
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