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Molecular-Simulation-Driven Fragment Screening for the Discovery of New CXCL12 Inhibitors.

Gerard Martínez-RosellMatt J. HarveyGianni De Fabritiis
Published in: J. Chem. Inf. Model. (2018)
Keyphrases
  • drug discovery
  • three dimensional
  • molecular dynamics
  • knowledge discovery
  • data mining
  • simulation model
  • simulation environment
  • database
  • image analysis
  • data driven
  • simulation study