Search for dissertations about: "Rongfeng Zou"

Found 1 swedish dissertation containing the words Rongfeng Zou.

  2. 1. Computational Studies of Protein-ligand Systems Using Enhanced Sampling Methods

    Author : Rongfeng Zou; Yaoquan Tu; Leif Eriksson; KTH; []
    Keywords : molecular dynamics; enhanced sampling; protein-ligand interactions; umbrella sampling; metadynamics; Teoretisk kemi och biologi; Theoretical Chemistry and Biology;

    Abstract : This thesis focuses on studies of protein-ligand systems using enhanced sampling methods. In chapter I, I give a brief introduction to the time-scale problem and some enhanced sampling methods. In chapter II, the basics of MD simulation are reviewed. READ MORE