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Comment on "Martini force field for protonated polyethyleneimine".

Subhamoy MahajanTian Tang
Published in: Journal of computational chemistry (2020)
We comment on the recently published Martini forcefield for linear polyethylenimine (Beu et al., J. Comput. Chem., 2020, 41, 349). With supporting evidence, we demonstrate that the new coarse-graining methodology presented in that work is inconsistent with the Martini methodology and lacks important validation steps which is usually required by Martini forcefields.
Keyphrases
  • molecular dynamics
  • single molecule
  • randomized controlled trial
  • neural network