Bond detectors for molecular dynamics simulations, Part I: Hydrogen bonds

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Analyzing Protein Dynamics Using Hydrogen Exchange Mass Spectrometry
11:37

Analyzing Protein Dynamics Using Hydrogen Exchange Mass Spectrometry

Published on: November 29, 2013

Anna Stachowicz1, Jacek Korchowiec

  • 1K. Gumiński Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, R. Ingardena 3, Krakow, Poland.

Journal of Computational Chemistry
|July 24, 2013
PubMed

Keywords:
Fukui functionbond detectorscharge sensitivity analysishydrogen bondmolecular dynamics simulationspolarizable force-fieldspolarization matrixreactivity criteriasoftness/hardness

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