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Lipid Composition Is Critical for Accurate Membrane Permeability Prediction of Cyclic Peptides by Molecular Dynamics Simulations.

Masatake SugitaTakuya FujieKeisuke YanagisawaMasahito OhueYutaka Akiyama
Published in: J. Chem. Inf. Model. (2022)
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics
  • database
  • management system
  • data processing
  • computer systems