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Conformational properties of penicillins: Quantum chemical calculations and molecular dynamics simulations of benzylpenicillin.

Natalia DíazDimas SuárezTomás Luis Sordo
Published in: J. Comput. Chem. (2003)
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics
  • database
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  • data mining
  • high level
  • response time
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  • distributed environment
  • protein folding