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Molecular Modeling Study of Dihydrofolate Reductase Inhibitors. Molecular Dynamics Simulations, Quantum Mechanical Calculations, and Experimental Corroboration.

Rodrigo D. TossoSebastian A. AndujarLucas GutierrezEmilio AngelinaRicaurte RodríguezManuel NoguerasHéctor A. BaldoniFernando D. SuvireJusto CoboRicardo D. Enriz
Published in: J. Chem. Inf. Model. (2013)
Keyphrases
  • molecular dynamics simulations
  • statistical analysis
  • molecular dynamics
  • databases
  • motion estimation
  • distributed systems