FFLUX: Transferability of polarizable machine-learned electrostatics in peptide chains

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Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
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Timothy L Fletcher1,2, Paul L A Popelier1,2

  • 1Manchester Institute of Biotechnology (MIB), 131 Princess Street, Manchester, M1 7DN, Great Britain.

Journal of Computational Chemistry
|March 16, 2017
PubMed

Keywords:
QTAIMatomic chargeforce fieldmachine learningpeptidesquantum chemical topologytransferability

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