Published June 18, 2024
| Version v1
Dataset
Open
[PART 2] How to fit a round peg in a square hole: Pseudomonas aeruginosa acyl-CoA dehydrogenases and structure-guided inversion of their substrate specificity.
Authors/Creators
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1.
German Center for Infection Research
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2.
Universitätsklinikum Tübingen
Description
Classical unbiased molecular dynamics dataset generated with Maestro 2023.4
1320- PaFadE1 8PNS noCoA +FAD + G129M A295E, 10A3 OPLS4 T3P
1321- PaFadE1 8PNS noCoA +FAD WT, 10A3 OPLS4 T3P
Files
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(39.0 GB)
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md5:e1889fa8f4fb84a17a16108fba55af87
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