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Molecular Dynamics Simulation and Binding Energy Calculation for Estimation of Oligonucleotide Duplex Thermostability in RNA-Based Therapeutics.

Lingling ShenTheresa L. JohnsonSusan ClugstonHongwei HuangKenneth J. ButenhofRobert V. Stanton
Published in: J. Chem. Inf. Model. (2011)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • scientific data
  • high performance computing
  • protein folding
  • energy consumption
  • data collection
  • secondary structure
  • fluid flow