Interaction Energies and Forces of Biomolecules

  • Lee, Jinhyuk (Dept. of Chemistry, College of Natural Sciences, Seoul National University) ;
  • Seokmin Shin (Dept. of Chemistry, College of Natural Sciences, Seoul National University) ;
  • Jung, Sun-Hee (Structural Biology Center, Korea Institute of Science and Technology (KIST))
  • 발행 : 1999.06.01

초록

We propose a method where interaction energies and force components are calculated separately for each residue of biomolecules. It is found that the correlation factors obtained from the analysis of five types of force terms and one interaction energy term (main chain self-energy) can be used to predict a mutants free energy difference relative to wild type.(omitted)

키워드