Towards the simulation of biomolecules: optimisation of peptide-capped glycine using FFLUX

Joseph C. R. Thacker, Alex L. Wilson, Zak E. Hughes, Matthew J. Burn, Peter I. Maxwell, Paul L. A. Popelier
  • Molecular Simulation, February 2018, Taylor & Francis
  • DOI: 10.1080/08927022.2018.1431837
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