Molecular Dynamics and Optimization Studies of -Synuclein Protein Structures

Parkinson s disease (PD), the second most common neurodegenerative disorder in human. The cause of PD is believed to involve genetic factors. At least 6 pathogenic genes have been associated with familial PD. -Synuclein ( S) is the main component of the Lewy bodies that accumulate in the brains of people with PD. Misfolding of the S protein has been implicated in the molecular chain of events leading to PD. This book studies wild type (WT) S proteins and their (8) S(1-140)-mutants by optimization and Molecular Dynamics (MD). In this book our systematic MD study of a wider range of mutants would provide some answers for genetic factors.

Numerous bindings of some segments of S are also MD studied. Some fibrils leaded by aS misfolding are MD studied too.

This book is particularly valuable for professionals working in computing roles within computational biochemistry/biophysics, bioinformatics, etc. It serves as an accessible introduction and is an excellent resource for students.