Replica-averaged orientational-restrained ensembles of DWORF and P15A-DWORF in lipid bilayers

Uddigiri, Venkateswara Reddy
Weber, Daniel K
Wang, Songlin
Larsen, Erik K
Gopinath, Tata
De Simone, Alfonso
Robia, Seth
Veglia, Gianluigi
2021-05-06
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https://doi.org/10.13020/2vf6-y268
 https://hdl.handle.net/11299/219595
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2019-07-01
2021-05-03

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2021-05-04

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Replica-averaged orientational-restrained ensembles of DWORF and P15A-DWORF in lipid bilayers

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2021-05-06

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Veglia, Gianluigi
vegli001@umn.edu

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Simulation Data

Abstract

Replica-averaged orientational-restrained molecular dynamics (RAOR-MD) ensembles of DWORF and the DWORF-P15A mutant in lipid bilayers. Restrained to 15N chemical shift anisotropy and 1H-15N dipolar coupling data obtained from oriented sample solid-state NMR spectroscopy.

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CC0 1.0 Universal
http://creativecommons.org/publicdomain/zero/1.0/

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Data Repository for U of M (DRUM)

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National Institutes of Health (R01HL143816, R01HL092321)
American Heart Association (19POST34420009)

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Uddigiri, Venkateswara Reddy; Weber, Daniel K; Wang, Songlin; Larsen, Erik K; Gopinath, Tata; De Simone, Alfonso; Robia, Seth; Veglia, Gianluigi. (2021). Replica-averaged orientational-restrained ensembles of DWORF and P15A-DWORF in lipid bilayers. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/2vf6-y268.

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DWORF_WT_lipids.gro
GROMACS topology file for ensemble of wild-type DWORF in a DMPC/POPC membrane
(840.16 KB)
DWORF_WT_ensemble_lipids.xtc
GROMACS trajectory file for ensemble of wild-type DWORF in a DMPC/POPC membrane
(347.18 MB)
DWORF_WT_protein.gro
GROMACS topology file for ensemble of wild-type DWORF in a DMPC/POPC membrane (protein atoms only)
(25.24 KB)
DWORF_WT_ensemble_protein.xtc
GROMACS trajectory file for ensemble of wild-type DWORF in a DMPC/POPC membrane (protein atoms only)
(10.76 MB)
DWORF_P15A_lipids.gro
GROMACS topology file for ensemble of DWORF-P15A mutant in a DMPC/POPC membrane
(840.01 KB)

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