Published October 6, 2023
| Version 6.0
Dataset
Open
GlycoSHIELD Glycan Conformer Library
Authors/Creators
- Tsai, Yu-Xi1
-
Chang, Ning-En1
- Reuter, Klaus2
- Chang, Hao-Ting1
- Yang, Tzu-Jing1
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von Bülow, Sören3
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Sehrawat, Vidhi4
- Zerrouki, Noémie5
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Gecht, Michael3
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Penet, Camille5
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Grothaus, Isabell Louise6
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Ciacchi, Lucio Colombi6
- Wang, Yong-Sheng1
- Hsu, Min-Feng7
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Khoo, Kay-Hooi1
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Hummer, Gerhard8
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Hsu, Shang-Te Danny9
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Hanus, Cyril5
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Sikora, Mateusz4
- 1. Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan; Institute of Biochemical Sciences, National Taiwan University, Taipei 10617, Taiwan.
- 2. Max Planck Computing and Data Facility, Gießenbachstraße 2, 85748 Garching, Germany
- 3. Department of Theoretical Biophysics, Max Planck Institute for Biophysics, 60438 Frankfurt, Germany
- 4. Department of Theoretical Biophysics, Max Planck Institute for Biophysics, 60438 Frankfurt, Germany; Malopolska Centre of Biotechnology, Gronostajowa 7A, 30-387 Kraków, Poland
- 5. Institute of Psychiatry and Neurosciences of Paris, Inserm UMR1266 - Université de Paris, 75014 Paris, France;
- 6. Bremen Center for Computational Materials Science and MAPEX Center for Materials and Processes, University of Bremen, 28359 Bremen, Germany
- 7. Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan
- 8. Department of Theoretical Biophysics, Max Planck Institute for Biophysics, 60438 Frankfurt, Germany; Institute of Biophysics, Goethe University, 60438 Frankfurt, Germany
- 9. Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan; Institute of Biochemical Sciences, National Taiwan University, Taipei 10617, Taiwan; International Institute for Sustainability with Knotted Chiral Meta Matter (WPI-SKCM2), Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8526, Japan
Description
Dataset containing GROMACS trajectories and reference structures of glycans used by the GlycoSHIELD pipeline.
Files
Files
(1.8 GB)
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md5:6a42dd89c83644e8711a32829dfc710a
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24.8 MB | Download |
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md5:bd70fae47451a7c8b656f243e65cd190
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18.9 MB | Download |
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26.7 MB | Download |
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md5:8a792703668a855d824d7f5bf1f88054
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34.4 MB | Download |
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md5:8efcd2c8c14a57026f1ce67d924cdb6a
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22.6 MB | Download |
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md5:5c2b4ea948ac74e15a95448d70740c51
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8.2 MB | Download |
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md5:a17d6c1be23f047032f0962d8d6bb5a6
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12.4 MB | Download |
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md5:3155e80cc982f3fdd006d9f612320859
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13.8 MB | Download |
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md5:df7f03c8b37520d16c9aaef2aa6c55cf
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37.0 MB | Download |
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md5:f5730c9ef674ec70b47902b87bc7dd5e
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11.3 MB | Download |
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md5:e1a898e8563838804a73aa05fa7bc597
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58.4 MB | Download |
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md5:80c3b95483edfc589243deeeae0da121
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27.4 MB | Download |
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md5:e665cb938ccfd7008572d4df3df8c6cb
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29.8 MB | Download |
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md5:5ff220feb99671695b4ec2478d468515
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23.3 MB | Download |
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md5:316b95e9c1a95eb7018d09e64550f7cf
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25.5 MB | Download |
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md5:e74a77abf8455d6518b12cff0e59e5d2
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24.0 MB | Download |
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md5:a999ca89ffdf568a0d06df3e2c8ad367
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26.2 MB | Download |
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md5:ef3eb7e31bb6351aa034f13c759f09c6
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26.4 MB | Download |
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md5:3fa60e8d6f7dbc6f62f5149b8cbd6be5
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28.6 MB | Download |
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md5:edb43590cbdab1914c62608f05a03348
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35.1 MB | Download |
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md5:33c7865246cc3780d2ede5ab0f6a9b6f
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30.3 MB | Download |
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md5:6d61249a52a645b235f74a552efa0337
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29.3 MB | Download |
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md5:1b3a6d8c5e87f78385c0978a77078707
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31.7 MB | Download |
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md5:9a5008575cd50c3c0b68f3089deaa8f4
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36.5 MB | Download |
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md5:33fb988a28f280f8a7f903101b90bbbc
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40.6 MB | Download |
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md5:087a4454cb2065fec1e0328eb2404776
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41.3 MB | Download |
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md5:d402eb7230888db49af5dc5e503c43ac
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41.9 MB | Download |
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md5:1bc5a3b9ff9364a4474ed6df1eaa5f15
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25.0 MB | Download |
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md5:4e9aefdb00c8a517c7d8e1fa23f8c562
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32.1 MB | Download |
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md5:9fe5cfdb24e2c880493f8a6ed8b01e5e
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34.5 MB | Download |
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md5:426f89061bdf4d29e690075caa9321c2
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39.3 MB | Download |
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md5:55d494c2761d06d127bb222b1e8ca39a
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43.5 MB | Download |
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md5:917e5ea3f42ddc34990d61821ae41989
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25.7 MB | Download |
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md5:e6067c59af2c98794750d0591abe7f3a
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25.7 MB | Download |
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md5:f527c93f6c1dfd6a9f001356f20ab950
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28.1 MB | Download |
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md5:a3b1f7c3b6a643a84296ace6c3ad3719
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34.4 MB | Download |
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md5:be877d10172523f805d323cb55b74638
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34.4 MB | Download |
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md5:58eef6c38e4d36d6514e7631037034d1
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32.4 MB | Download |
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md5:d98a937b5e58e39dbeae030e0d2f899b
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32.4 MB | Download |
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md5:26f15b7b840836551e87e3be00c295b8
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36.9 MB | Download |
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md5:a7a7af996e377871e0936d0887d2c15e
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22.6 MB | Download |
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md5:ac4334e636dee338d265a49feefc9baf
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39.3 MB | Download |
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md5:2500e0a36cf43718265250f6c0183801
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17.8 MB | Download |
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md5:2289eaafaf7eac17c717585949323cbd
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20.0 MB | Download |
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md5:f55e387da1541d1b09bff67dca1e7312
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20.1 MB | Download |
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md5:35db57971bff42df5f2b6943e8ce47e9
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22.3 MB | Download |
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md5:9d455a9f2394c0355b04e33b5d60090a
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20.2 MB | Download |
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md5:7941ce8a1f500709c6ba93adb8eb8b4b
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20.2 MB | Download |
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md5:cb10173bf545fbeb0a87f36915a498f3
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41.5 MB | Download |
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md5:5aa391ae2fc082658ae900ab76e6090b
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9.3 MB | Download |
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md5:a6ade9d9e0e7af4e278d9efe7804f78f
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17.6 MB | Download |
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md5:21a419723485f7af3cacd02e83fd3cd4
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65.3 MB | Download |
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md5:57556d5e26f52a4686709c5aff36ed27
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19.9 MB | Download |
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md5:3ec1fd4e2300bf09da419edc43af7733
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17.7 MB | Download |
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md5:91eefa662282a322b39b45ebf43c571f
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28.8 MB | Download |
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md5:31e3b2abec4d6091ce80c8762362dd70
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10.6 MB | Download |
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md5:7dfa6ba002d22c7b248a4c39313a0dd3
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14.8 MB | Download |
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md5:462080adfeb9f50e4566aa3851a7075e
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13.8 MB | Download |
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md5:4684c3845bb9d31448a64324a817da6d
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14.5 MB | Download |
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md5:cf70e2d2829da28c0c85ed3b8c48569d
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11.4 MB | Download |
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md5:dd582e36f1a303f3cdb41a4f63ba080b
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11.3 MB | Download |
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md5:57100da7d5102d93c8540e3efd01a281
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31.1 MB | Download |
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md5:04fe548979896f9db9e2ebd9ec6d9956
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11.3 MB | Download |
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md5:41abe8038d0feab6b3c50668c6623715
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10.7 MB | Download |
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md5:9f580cead4c8725491fabb501cd8d627
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15.4 MB | Download |
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md5:9a469fc215d4f90f7fb13b504f5a2bbb
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17.8 MB | Download |
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md5:74d301faac13fbdd61f1b428623de045
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23.2 MB | Download |
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md5:1427a89d46090c5be7845000a9499a17
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15.5 MB | Download |
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md5:f00751533f18d1e05c5bdd82e38b39c3
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25.1 MB | Download |
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md5:c546699cdbf204c68b060e79f26e301e
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15.5 MB | Download |
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md5:f5f3435e0929fe96262bfe254ed1d36c
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14.8 MB | Download |
Additional details
Related works
- Is new version of
- Dataset: 10.5281/zenodo.6983057 (DOI)