Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly

<p>1. Pairwise-Additive and Polarizable Atomistic Force Fields for Molecular Dynamics Simulations of Proteins<br>Justin Lemkul<br>2. Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers<br>Adam Liwo<br>3. Monte Carlo methods in protein folding and assembly<br>Sandipan Mohanty<br>4. Enhanced sampling and free energy methods<br>Qinghua Liao<br>5. Markov models of molecular simulations of protein folding, protein-protein interactions, and aggregation<br>Nicolae-viorel Buchete<br>6. Molecular dynamics simulations with experimental restraints<br>Kresten Lindorff-Larsen<br>7. Protein folding simulations<br>Ivan Coluzza<br>8. Thermal stability of proteins<br>Fabio Sterpone<br>9. Aggregation of short disease-related peptides<br>Philippe Derreumaux<br>10. Dichotomy between universality and specificity of amyloid β-protein oligomer formation: Molecular dynamics perspective<br>Brigita Urbanc<br>11. Computational studies of protein aggregation mediated by amyloid: Fibril elongation and secondary nucleation<br>Wei Han</p>