Detalle de: Thorough Validation of Protein Normal Mode Analysis: A Comparative Study with Essential Dynamics
| Title | Thorough Validation of Protein Normal Mode Analysis: A Comparative Study with Essential Dynamics |
| Abstract |
The deformation patterns of a large set of representative proteins determined by essential dynamics extracted from atomistic simulations and coarse-grained normal mode analysis are compared. Our analysis shows that the deformational space obtained with both approaches is quite similar when taking into account a representative number of modes. The results provide not only a comprehensive validation of the use of a low-frequency modal spectrum to describe protein flexibility, but also a complete picture of normal mode limitations. |
| Apa Reference | Rueda, M., Chacón, P., & Orozco, M. (2007). Thorough Validation of Protein Normal Mode Analysis: A Comparative Study with Essential Dynamics. Structure, 15(5), 565–575. 10.1016/j.str.2007.03.013 |
| Doi | 10.1016/j.str.2007.03.013 |
| Publication Date | May 2007 |
| Publication Type | Article |
| Researcher | Pablo Chacón |
| Ontology | Molecular flexibility, Computational models and simulations, Biomolecular simulation |
| Research Groups | Structural Bioinformatics |
| Tools |