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Automated Docking with Protein Flexibility in the Design of Femtomolar "Click Chemistry" Inhibitors of Acetylcholinesterase.

Garrett M. MorrisLuke G. GreenZoran RadicPalmer TaylorK. Barry SharplessArthur J. OlsonFlavio Grynszpan
Published in: J. Chem. Inf. Model. (2013)
Keyphrases
  • knowledge based systems
  • computer aided
  • protein protein interactions
  • semi automated
  • molecular dynamics
  • search engine
  • case study
  • web search
  • building blocks
  • user behavior
  • user experience
  • wet lab