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High-Performance Analysis of Biomolecular Containers to Measure Small-Molecule Transport, Transbilayer Lipid Diffusion, and Protein Cavities.

Alexander J. BryerJodi A. Hadden-PerillaJohn E. StoneJuan R. Perilla
Published in: J. Chem. Inf. Model. (2019)
Keyphrases
  • small size
  • small number
  • wide range
  • drug discovery
  • similarity measure
  • distance measure
  • multiscale
  • ultrasound images
  • protein sequences
  • data sets
  • anisotropic diffusion
  • diffusion process
  • molecular dynamics