A Systematic Framework for Molecular Dynamics Simulations of Protein Post-Translational Modifications

Drazen Petrov, Christian Margreitter, Melanie Grandits, Chris Oostenbrink, Bojan Zagrovic

Publications: Contribution to journalArticlePeer Reviewed

Original languageEnglish
Article number1003154
Number of pages9
JournalPLoS Computational Biology
Volume9
Issue number7
DOIs
Publication statusPublished - Jul 2013

Austrian Fields of Science 2012

  • 106022 Microbiology

Keywords

  • FREE-ENERGY CALCULATIONS
  • ATOM FORCE-FIELD
  • HISTONE MODIFICATIONS
  • CONDENSED-PHASE
  • HYDRATION
  • CARBONYLATION
  • ARCHITECTURE
  • BINDING
  • ALPHA
  • MODEL

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