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A Grid Map Based Approach to Identify Nonobvious Ligand Design Opportunities in 3D Protein Structure Ensembles.

Philipp S. SchmalhorstAndreas Bergner
Published in: J. Chem. Inf. Model. (2020)
Keyphrases
  • protein structure
  • molecular biology
  • protein sequences
  • machine learning
  • social networks
  • decision trees
  • ensemble methods
  • protein structure prediction
  • computational approaches