Search for dissertations about: "Chris Reynolds"

Found 1 swedish dissertation containing the words Chris Reynolds.

2. 1. Challenges in Computational Biochemistry: Solvation and Ligand Binding

   Author : Jens Carlsson; Johan Åqvist; Chris Reynolds; Uppsala universitet; []
   Keywords : Molecular biology; computer simulations; molecular dynamics; solvation free energy; Generalized-Born; Poisson-Boltzmann; ligand binding; binding free energy; linear interaction energy; binding entropy; hydration entropy; Molekylärbiologi;

   Abstract : Accurate calculations of free energies for molecular association and solvation are important for the understanding of biochemical processes, and are useful in many pharmaceutical applications. In this thesis, molecular dynamics (MD) simulations are used to calculate thermodynamic properties for solvation and ligand binding. READ MORE