Browsing Theses by Subject "ligand binding"
Now showing items 1-2 of 2
-
Computational Design of Protein Structure and Prediction of Ligand Binding
(University of Waterloo, 2016-08-23)Proteins perform a tremendous array of finely-tuned functions which are not only critical in living organisms, but can be used for industrial and medical purposes. The ability to rationally design these molecular machines ... -
Conformational Ensemble Generation via Constraint-based Rigid-body Dynamics Guided by the Elastic Network Model
(University of Waterloo, 2011-08-29)Conformational selection is the idea that proteins traverse positions on the conformational space represented by their potential energy landscape, and in particular positions considered as local energy minima. Conformational ...