Published November 10, 2023
| Version v1.1
Model
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Three Amber-refined models for PDB structure 1wou
Authors/Creators
Description
Model A. 1wou supercell model after the Amber refinement stage.
Model B. Fully refined 1wou supercell model obtained from the refinement pipeline and consequently reduced to a form of protein bundle.
Model C. Fully refined 1wou supercell model obtained from the refinement pipeline.
Files
Files
(17.9 MB)
| Name | Size | Download all |
|---|---|---|
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md5:ed7f97f0647969a817fda3f4c11f2060
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8.3 MB | Download |
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md5:067f7d350315833b4c42f127897b6c8f
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4.8 MB | Download |
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md5:00a9d3ea34a46a0f61dc85abd1db4736
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4.8 MB | Download |
Additional details
Funding
- Russian Science Foundation
- Toward better protein structures: combining X-ray diffraction data and MD models of protein crystals 21-44-00033
- National Natural Science Foundation of China
- Toward better protein structures: combining X-ray diffraction data and MD models of protein crystals 32061133011
- St Petersburg University
- St. Petersburg University grant Laboratory of Biomolecular NMR 104236506
References
- O. Mikhailovskii, S.A. Izmailov, Y. Xue, D.A. Case, N.R. Skrynnikov "X-ray crystallography module in MD simulation program Amber 2023. Refining the models of protein crystals" Journal of Chemical Information and Modeling