Local search heuristic for rigid protein docking
Choi V, Agarwal P, Edelsbrunner H, Rudolph J. 2004. Local search heuristic for rigid protein docking. WABI: 4th International Workshop on Algorithms in Bioinformatics, LNCS, vol. 3240, 218–229.
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Conference Paper
| Published
Author
Choi, Vicky;
Agarwal, Pankaj K;
Edelsbrunner, HerbertISTA 
;
Rudolph, Johannes
;
Rudolph, JohannesSeries Title
LNCS
Abstract
We give an algorithm that locally improves the fit between two proteins modeled as space-filling diagrams. The algorithm defines the fit in purely geometric terms and improves by applying a rigid motion to one of the two proteins. Our implementation of the algorithm takes between three and ten seconds and converges with high likelihood to the correct docked configuration, provided it starts at a position away from the correct one by at most 18 degrees of rotation and at most 3.0Angstrom of translation. The speed and convergence radius make this an attractive algorithm to use in combination with a coarse sampling of the six-dimensional space of rigid motions.
Publishing Year
Date Published
2004-01-01
Publisher
Springer
Acknowledgement
Supported by NSF under grant CCR-00-86013, BGT Postdoc Program from Duke University and NIH under grant R01 GM61822-01.
Volume
3240
Page
218 - 229
Conference
WABI: 4th International Workshop on Algorithms in Bioinformatics
IST-REx-ID
Cite this
Choi V, Agarwal P, Edelsbrunner H, Rudolph J. Local search heuristic for rigid protein docking. In: Vol 3240. Springer; 2004:218-229. doi:10.1007/978-3-540-30219-3_19
Choi, V., Agarwal, P., Edelsbrunner, H., & Rudolph, J. (2004). Local search heuristic for rigid protein docking (Vol. 3240, pp. 218–229). Presented at the WABI: 4th International Workshop on Algorithms in Bioinformatics, Springer. https://doi.org/10.1007/978-3-540-30219-3_19
Choi, Vicky, Pankaj Agarwal, Herbert Edelsbrunner, and Johannes Rudolph. “Local Search Heuristic for Rigid Protein Docking,” 3240:218–29. Springer, 2004. https://doi.org/10.1007/978-3-540-30219-3_19.
V. Choi, P. Agarwal, H. Edelsbrunner, and J. Rudolph, “Local search heuristic for rigid protein docking,” presented at the WABI: 4th International Workshop on Algorithms in Bioinformatics, 2004, vol. 3240, pp. 218–229.
Choi V, Agarwal P, Edelsbrunner H, Rudolph J. 2004. Local search heuristic for rigid protein docking. WABI: 4th International Workshop on Algorithms in Bioinformatics, LNCS, vol. 3240, 218–229.
Choi, Vicky, et al. Local Search Heuristic for Rigid Protein Docking. Vol. 3240, Springer, 2004, pp. 218–29, doi:10.1007/978-3-540-30219-3_19.
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