Understanding disordered and membrane protein recognition by molecular dynamics
Nathaniel H. Stanley · Repositori digital de la UPF (Universitat Pompeu Fabra) · 2015
This thesis has been about the use of a simulation technique, known as molecular dynamics simulations, to study biophysics in proteins that have historically been difficult to study with other methods. We have studied numerous systems, namely binding to the membrane proteins Fatty acid amide hydrolase (FAAH) and the sphingosine-1-phosphate receptor 1 (S1P1R), and folding in the disordered protein kinase inducible domain (KID). In each case we have been able to analyze processes and uncover behaviors that are difficult or impossible to view by other means.