Sökning: "GROMOS"

Hittade 1 avhandling innehållade ordet GROMOS.

  1. 1. Towards simulating fully charged protein-DNA systems in water : Zif268-DNA as a test case

    Författare :Git Roxström; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; Molecular Dynamics simulation; Zif268; zinc fingers; GROMOS; linkers; recognition sites; Fysik; Physics; Fysik; Physical Chemistry; fysikalisk kemi;

    Sammanfattning : In this thesis, we develop a computing strategy to simulate fully charged protein-DNA systems with a general force field (GROMOS87). The ions neutralizing the phosphates (P-ions) are submitted to global symmetry constraints. A model exhibiting ionic-atmosphere effects on mobile P-ions was implemented via very weak restraint forces. LÄS MER