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A Protocol for Computer-Based Protein Structure and Function Prediction
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Structure-based protein-ligand interaction fingerprints for binding affinity prediction

Debby D Wang1, Moon-Tong Chan2, Hong Yan3

  • 1School of Health Science and Engineering, University of Shanghai for Science and Technology, 516 Jungong Rd, Shanghai 200093, China.

Computational and Structural Biotechnology Journal
|December 13, 2021
PubMed

Keywords:
Computer-aided drug designInteraction fingerprintMachine learningProtein–ligand binding affinityScoring function

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