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Part 1: Document Description
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Citation |
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Title: |
PDB - 2XWT: TSH receptor in complex with autoantibody K1-70 (311K, 38°C, 200 ns): random seed #5 |
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Identification Number: |
doi:10.7910/DVN/D5UAQM |
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Distributor: |
Harvard Dataverse |
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Date of Distribution: |
2023-11-07 |
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Version: |
3 |
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Bibliographic Citation: |
Stan, Razvan, 2023, "PDB - 2XWT: TSH receptor in complex with autoantibody K1-70 (311K, 38°C, 200 ns): random seed #5", https://doi.org/10.7910/DVN/D5UAQM, Harvard Dataverse, V3, UNF:6:6Wcx9C477tNUpT0K02FagQ== [fileUNF] |
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Citation |
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Title: |
PDB - 2XWT: TSH receptor in complex with autoantibody K1-70 (311K, 38°C, 200 ns): random seed #5 |
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Identification Number: |
doi:10.7910/DVN/D5UAQM |
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Authoring Entity: |
Stan, Razvan (Chonnam National University) |
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Distributor: |
Harvard Dataverse |
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Access Authority: |
Stan, Razvan |
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Depositor: |
Stan, Razvan |
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Date of Deposit: |
2023-11-07 |
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Holdings Information: |
https://doi.org/10.7910/DVN/D5UAQM |
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Study Scope |
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Keywords: |
Computer and Information Science, Medicine, Health and Life Sciences, fever, autoimmune diseases, inflammation, Molecular Dynamics, autoantibody, thyrotropin receptor |
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Abstract: |
TSH receptor in complex with autoantibody K1-70 (311K, 38°C, 200 ns): random seed #5. Contains PDBs obtained every 50 ns and free binding energy calculations. |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Other Study Description Materials |
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Label: |
2xwt-m.pdb |
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Notes: |
application/vnd.palm |
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Label: |
2xwt-rs5-311k-0ns.pdb |
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Notes: |
application/vnd.palm |
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Label: |
2xwt-rs5-311k-100ns.pdb |
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Notes: |
application/vnd.palm |
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Label: |
2xwt-rs5-311k-150ns.pdb |
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Notes: |
application/vnd.palm |
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Label: |
2xwt-rs5-311k-200ns.pdb |
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Notes: |
application/vnd.palm |
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Label: |
2xwt-rs5-311k-50ns.pdb |
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Notes: |
application/vnd.palm |
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Label: |
complex.gro |
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Notes: |
application/octet-stream |
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Label: |
dynamic-nopbc.xtc |
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Notes: |
application/octet-stream |
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Label: |
em.edr |
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Notes: |
application/octet-stream |
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Label: |
em.gro |
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Notes: |
application/octet-stream |
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Label: |
em.log |
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Notes: |
text/plain |
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Label: |
em.mdp |
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Notes: |
application/octet-stream |
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Label: |
em.tpr |
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Notes: |
application/octet-stream |
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Label: |
em.trr |
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Notes: |
application/octet-stream |
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Label: |
index.ndx |
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application/octet-stream |
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Label: |
ions.mdp |
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Notes: |
application/octet-stream |
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Label: |
ions.tpr |
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application/octet-stream |
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Label: |
md.mdp |
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application/octet-stream |
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Label: |
mdout.mdp |
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Notes: |
application/octet-stream |
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Label: |
md_0_10.cpt |
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Notes: |
application/mac-compactpro |
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Label: |
md_0_10.edr |
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Notes: |
application/octet-stream |
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md_0_10.gro |
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application/octet-stream |
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md_0_10.log |
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text/plain |
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md_0_10.tpr |
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application/octet-stream |
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Label: |
md_0_10_prev.cpt |
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application/mac-compactpro |
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newbox.gro |
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application/octet-stream |
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Label: |
npt.cpt |
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Notes: |
application/mac-compactpro |
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npt.edr |
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application/octet-stream |
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npt.gro |
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Notes: |
application/octet-stream |
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Label: |
npt.log |
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text/plain |
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npt.mdp |
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Notes: |
application/octet-stream |
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Label: |
npt.tpr |
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Notes: |
application/octet-stream |
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Label: |
npt.trr |
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Notes: |
application/octet-stream |
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Label: |
nvt.cpt |
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Notes: |
application/mac-compactpro |
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Label: |
nvt.edr |
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Notes: |
application/octet-stream |
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Label: |
nvt.gro |
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Notes: |
application/octet-stream |
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Label: |
nvt.log |
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text/plain |
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Label: |
nvt.mdp |
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Notes: |
application/octet-stream |
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Label: |
nvt.tpr |
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Notes: |
application/octet-stream |
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Label: |
nvt.trr |
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Notes: |
application/octet-stream |
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Label: |
posre_Protein_chain_A.itp |
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Notes: |
application/vnd.shana.informed.formtemplate |
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Label: |
posre_Protein_chain_B.itp |
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Notes: |
application/vnd.shana.informed.formtemplate |
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Label: |
posre_Protein_chain_C.itp |
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Notes: |
application/vnd.shana.informed.formtemplate |
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Label: |
solv.gro |
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Notes: |
application/octet-stream |
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Label: |
solv_ions.gro |
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Notes: |
application/octet-stream |
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Label: |
system_reduced.xtc |
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Notes: |
application/octet-stream |
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Label: |
topol.top |
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Notes: |
application/octet-stream |
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Label: |
topol.top.1 |
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Notes: |
application/octet-stream |
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Label: |
topol.top.2 |
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Notes: |
application/octet-stream |
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Label: |
topol_Protein_chain_A.itp |
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Notes: |
application/vnd.shana.informed.formtemplate |
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Label: |
topol_Protein_chain_B.itp |
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Notes: |
application/vnd.shana.informed.formtemplate |
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Label: |
topol_Protein_chain_C.itp |
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Notes: |
application/vnd.shana.informed.formtemplate |
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Label: |
xvg2csv.py |
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Notes: |
text/x-python |