Cargando…
Combining Optimal Control Theory and Molecular Dynamics for Protein Folding
A new method to develop low-energy folding routes for proteins is presented. The novel aspect of the proposed approach is the synergistic use of optimal control theory with Molecular Dynamics (MD). In the first step of the method, optimal control theory is employed to compute the force field and the...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2012
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3253094/ https://www.ncbi.nlm.nih.gov/pubmed/22238629 http://dx.doi.org/10.1371/journal.pone.0029628 |