Assessment of Mutational Effects on Peptide Stability through Confinement Simulations.

Abstract excerpt

The evaluation of free energy differences between specific states of a system is of fundamental interest in the study of (bio)chemical systems. Herein, we examine the use of the recently introduced confinement method (CM) to evaluate relative free energy changes upon protein/peptide mutations. CM is a path-independent technique that involves the transformation of a configurational state of the system into an...

Topics

Share this publication in a Topic to start or enrich a Post.

• Share to Models, Molecular
• Share to Molecular Dynamics Simulation