Published November 16, 2023
| Version v1
Dataset
Open
Trajectories of all MD simulations performed of Spike RBD/hACE2 complexes (WT, Delta, BA.1 to BA.4)
Authors/Creators
- 1. CNRS Délégation Languedoc-Roussillon
-
2.
Laboratoire Lorrain de Recherche en Informatique et ses Applications
Description
Trajectories (.dcd) of the molecular dynamics simulations performed on Spike RBD / hACE2 complexes
Protein structure files (.psf) prepared with Charmm36m topology / parameters
For the WT (SARS-CoV-2 original strain), 6 additional replicas were uploaded, 3 including all glycans present on both spike and hACE2 et 3 replicas without glycan as control simulations.
Files
Files
(28.1 GB)
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md5:01528d1b88232b533c0649ca1cf84b38
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2.3 GB | Download |
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md5:cf1dad814717a71515d772bcbf6c37b8
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3.0 MB | Download |
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md5:10ae0c564130348c7f38b1e854c45c36
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2.3 GB | Download |
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md5:e9d26a25e193a61901c797d3356fa275
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3.0 MB | Download |
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md5:88d02202f80bbc8469d57043fb1993b5
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2.3 GB | Download |
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md5:486c456acf1d056542c07a66267f41f9
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3.0 MB | Download |
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md5:8f4e09e757d80599dae35e2d627864c6
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2.3 GB | Download |
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md5:bd4f1fa7191888a13acf216aa68aa111
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3.0 MB | Download |
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md5:829333bb74dac05e923d535b1a9e1612
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2.3 GB | Download |
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md5:b272e66a1388a90a35a979837f55f5a5
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3.0 MB | Download |
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md5:2da24dc75ec6b1084ff908d5f62fad97
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2.3 GB | Download |
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md5:4d63c58ed3c99b72046b6bfcfa1667e2
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3.0 MB | Download |
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md5:6543d84c500854a9d03abd3116686d38
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2.6 GB | Download |
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md5:2a15e3515fce4d08700eeb70624be56a
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3.4 MB | Download |
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md5:ea770b7a472e3d5ae1096c665aef3ce9
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2.3 GB | Download |
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md5:122bf3dc0dc7b77f77bd34de838f21f2
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3.0 MB | Download |
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md5:2897390ec0ef474715b3a06b96c60459
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2.6 GB | Download |
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md5:2a15e3515fce4d08700eeb70624be56a
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3.4 MB | Download |
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md5:add10c0b4a0377646329a37f6742d367
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2.3 GB | Download |
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md5:122bf3dc0dc7b77f77bd34de838f21f2
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3.0 MB | Download |
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md5:88f9aaac68f0e2c792f40fd317c67a84
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2.6 GB | Download |
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md5:2a15e3515fce4d08700eeb70624be56a
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3.4 MB | Download |
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md5:aa727144a6cc9ab6aaccc5dc0fa2c414
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2.3 GB | Download |
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md5:122bf3dc0dc7b77f77bd34de838f21f2
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3.0 MB | Download |
Additional details
Additional titles
- Subtitle
- Complex RBD/hACE2 (WT)
- Subtitle
- Complex RBD/hACE2 (Delta)
- Subtitle
- Complex RBD/hACE2 (Omicron BA.1)
- Subtitle
- Complex RBD/hACE2 (Omicron BA.1+Q493K))
- Subtitle
- Complex RBD/hACE2 (Omicron BA.2)
- Subtitle
- Complex RBD/hACE2 (Omicron BA.4)
- Alternative title
- All corresponding PSF