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restrained molecular dynamics (tar-MD) simulations for the conformational analysis of five-membered ring systems: Methodology and applications.

Pieter M. S. HendrickxFrancisco CorzanaStefaan DepraetereDirk A. TourwéKoen AugustynsJosé C. Martins
Published in: J. Comput. Chem. (2010)
Keyphrases
  • molecular dynamics
  • complex systems
  • scientific data
  • protein folding
  • management system
  • computer systems
  • numerical simulations
  • computing systems