Login / Signup

Investigations of an O-H * * * S hydrogen bond via Car-Parrinello and path integral molecular dynamics.

Aneta JezierskaJaroslaw J. Panek
Published in: J. Comput. Chem. (2009)
Keyphrases
  • molecular dynamics
  • high performance computing
  • molecular dynamics simulations
  • scientific data
  • protein folding
  • data mining
  • fluid flow