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New model potentials for sulfur-copper(I) and sulfur-mercury(II) interactions in proteins: From ab initio to molecular dynamics.

Jean-Francois FuchsHristo NedevDavid PogerMichel FerrandValérie BrennerJean-Pierre DognonSerge Crouzy
Published in: J. Comput. Chem. (2006)
Keyphrases
  • mathematical model
  • molecular dynamics
  • management system
  • high level
  • data center
  • high performance computing