CBSF: a new empirical scoring function for docking parameterized by weights of neural network

DOI10.1515/CMB-2019-0009zbMATH Open1439.92090OpenAlexW3003063435WikidataQ126320935 ScholiaQ126320935MaRDI QIDQ2183363

Raulia R. Syrlybaeva, Marat R. Talipov

Publication date: 27 May 2020

Published in: Computational and Mathematical Biophysics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1515/cmb-2019-0009

zbMATH Keywords

machine learningscoring functionmolecular docking

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Computational methods for problems pertaining to biology (92-08)

Uses Software

• GitHub
• NumPy
• TensorFlow
• Keras
• DeepVS
• Open Babel
• NNScore

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