Machine Learning on the Free Energy Landscape of p53 Captured with Energy Vectors from MD Simulations
Abstract: The Free Energy Landscape (FEL), a representation of the energetic configurational space underlying the thermodynamics and kinetics of any molecular process, can be used to describe the conformational substate selection processes of molecules. Therefore in the case of a mutated molecule, if the FEL can be restored to an active state, a major challenge … Read more