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A Grid Map Based Approach to Identify Nonobvious Ligand Design Opportunities in 3D Protein Structure Ensembles.
Philipp S. Schmalhorst
Andreas Bergner
Published in:
J. Chem. Inf. Model. (2020)
Keyphrases
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protein structure
molecular biology
protein sequences
machine learning
social networks
decision trees
ensemble methods
protein structure prediction
computational approaches