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Auto-Rickshaw: an automated crystal structure determination platform as an efficient tool for the validation of an X-ray diffraction experiment
Abstract
The EMBL-Hamburg Automated Crystal Structure Determination Platform is a system that combines a number of existing macromolecular crystallographic computer programs and several decision-makers into a software pipeline for automated and efficient crystal structure determination. The pipeline can be invoked as soon as X-ray data from derivatized protein crystals have been collected and processed. It is controlled by a web-based graphical user interface for data and parameter input, and for monitoring the progress of structure determination. A large number of possible structure-solution paths are encoded in the system and the optimal path is selected by the decision-makers as the structure solution evolves. The processes have been optimized for speed so that the pipeline can be used effectively for validating the X-ray experiment at a synchrotron beamline.
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Cited by
Automated macromolecular model building for X-ray crystallography using ARP/wARP version 7
Langer, G., Cohen, S. X., Lamzin, V. S., & Perrakis, A. (2008) · Nature Protocols · doi:10.1038/nprot.2008.91 · Cited by 1,606
Self-citationPogenberg, V., Ögmundsdóttir, M. H., Bergsteinsdóttir, K., Schepsky, A., Phung, B., Deineko, V., Milewski, M., Steingrímsson, E., & Wilmanns, M. (2012) · Genes & Development · doi:10.1101/gad.198192.112 · Cited by 137
Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax
Hodder, A. N., Christensen, J., Scally, S., Triglia, T., Ngo, A., Birkinshaw, R. W., Bailey, B., Favuzza, P., Dietrich, M. H., Tham, W.-H., et al. (2022) · Structure · doi:10.1016/j.str.2022.03.018 · Cited by 35
Kim, C. Y., Mitchell, A. J., Kastner, D. W., Albright, C. E., Gutierrez, M. A., Glinkerman, C. M., Kulik, H. J., & Weng, J.-K. (2023) · Nature Communications · doi:10.1038/s41467-023-36299-1 · Cited by 25
Jaiman, D., Nagampalli, R., & Persson, K. (2023) · Scientific Reports · doi:10.1038/s41598-023-33705-y · Cited by 8
Metadata
- Authors
- Panjikar, S., Parthasarathy, V., Lamzin, V. S., Weiss, M. S., & Tucker, P. A.
- Venue
- Acta Crystallographica Section D Biological Crystallography
- Published
- 2005-03-24
- Volume
- 61
- Issue
- 4
- Pages
- 449-457
- ISSN
- 0907-4449 (ISSN-L)
- OpenAlex
- W2037531733
- Cited by
- 405
- References
- 0
- FWCI
- 7.66
- Type
- journal article
- Language
- en
- Open access
- closed
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