Protein folding tames chaos

摘要: Protein folding produces characteristic and functional three-dimensional structures from unfolded polypeptides or disordered coils. The emergence of extraordinary complexity in the protein process poses astonishing challenges to theoretical modeling computer simulations. present work introduces molecular nonlinear dynamics (MND), chaotic dynamics, as a framework for describing analyzing folding. We unveil existence intrinsically low dimensional manifolds (ILDMs) folded proteins. Additionally, we reveal that transition ordered conformations increases transverse stability ILDM. Stated differently, reduces chaoticity dynamical system, has best ability tame chaos. bring light connection between ILDM thermodynamic stability, which enables us quantify disorderliness relative energies folded, misfolded states. Finally, exploit chaos flexibility analysis develop robust algorithm prediction Debye-Waller factors, temperature structures.