Accounting for Large Amplitude Protein Deformation during in Silico Macromolecular Docking
Abstract
:1. Introduction
2. The Flexible Docking Problem
2.1. Flexible Refinement
2.2. Characteristics of Protein Flexibility
3. Methods for Flexible Docking Search
3.1. Continuous Approaches
3.1.1. Soft Mode Relaxation
3.2. Discrete Approaches
3.2.1. Cross-Docking
3.2.2. Interface Remodeling
3.2.3. Multi-Copy/Mean Field Approach
3.2.4. Multi-Component Docking
3.2.4.1. Interactive Loop Reconstruction
4. Conclusions
References
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Bastard, K.; Saladin, A.; Prévost, C. Accounting for Large Amplitude Protein Deformation during in Silico Macromolecular Docking. Int. J. Mol. Sci. 2011, 12, 1316-1333. https://doi.org/10.3390/ijms12021316
Bastard K, Saladin A, Prévost C. Accounting for Large Amplitude Protein Deformation during in Silico Macromolecular Docking. International Journal of Molecular Sciences. 2011; 12(2):1316-1333. https://doi.org/10.3390/ijms12021316
Chicago/Turabian StyleBastard, Karine, Adrien Saladin, and Chantal Prévost. 2011. "Accounting for Large Amplitude Protein Deformation during in Silico Macromolecular Docking" International Journal of Molecular Sciences 12, no. 2: 1316-1333. https://doi.org/10.3390/ijms12021316