5X8M, anti-PD-L1 antibody, Durvalumab (310K, 37°C, 500 ns), random seed #1 (doi:10.7910/DVN/CVVBH9)

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Part 1: Document Description
Part 2: Study Description
Part 3: Data Files Description
Part 4: Variable Description
Part 5: Other Study-Related Materials
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5X8M, anti-PD-L1 antibody, Durvalumab (310K, 37°C, 500 ns), random seed #1

doi:10.7910/DVN/CVVBH9

Harvard Dataverse

2025-03-11

1

PCD, Thermo, 2025, "5X8M, anti-PD-L1 antibody, Durvalumab (310K, 37°C, 500 ns), random seed #1", https://doi.org/10.7910/DVN/CVVBH9, Harvard Dataverse, V1, UNF:6:+p6iH39sOLvooEiR6u1q7g== [fileUNF]

5X8M, anti-PD-L1 antibody, Durvalumab (310K, 37°C, 500 ns), random seed #1

doi:10.7910/DVN/CVVBH9

PCD, Thermo (Chonnam National University)

Harvard Dataverse

PCD, Thermo

PCD, Thermo

2025-03-11

https://doi.org/10.7910/DVN/CVVBH9

Computer and Information Science, PD-L1, durvalumab

5X8M, anti-PD-L1 antibody, Durvalumab (310K, 37°C, 500 ns), random seed #1.

• Number of cases: 450

• No. of variables per record: 3

• Type of File: text/tab-separated-values

UNF:6:yHUe6yuYtaiDmtyrgy1IpA==

• Number of cases: 50001

• No. of variables per record: 5

• Type of File: text/tab-separated-values

UNF:6:ipRXfCkynACJuJ5QmOoNGA==

• Number of cases: 50001

• No. of variables per record: 2

• Type of File: text/tab-separated-values

UNF:6:Py2fdhGriGjP1hdhhW7r6w==

• Number of cases: 449

• No. of variables per record: 2

• Type of File: text/tab-separated-values

UNF:6:h5L9hdYKSfvd2atWyGjFfQ==

• Time (ps) - Time (ps)
• Average (nm\S2\N) - Average (nm\S2\N)
• Standard deviation (nm\S2\N) - Standard deviation (nm\S2\N)
• Time (ps) - Time (ps)
• Rg - Rg
• Rg\sX\N - Rg\sX\N
• Rg\sY\N - Rg\sY\N
• Rg\sZ\N - Rg\sZ\N
• Time (ps) - Time (ps)
• fter lsq fit to Protein - fter lsq fit to Protein
• 124 - 124
• 0.4426 - 0.4426

f10981094 Location:

Summary Statistics: Valid 450.0; Min. 124.0; Max. 573.0; StDev 130.0480680363995; Mean 348.5;

Variable Format: numeric

Notes: UNF:6:x2efBYXHtjW5eYdkYZ04Bg==

f10981094 Location:

Summary Statistics: Valid 450.0; Max. 1.994; Min. 0.0; StDev 0.44855100113438456; Mean 0.4904777777777778

Variable Format: numeric

Notes: UNF:6:HXJWFC9v1vrxfPg99A9TeA==

f10981094 Location:

Summary Statistics: Mean 0.1152; StDev 0.0834909808019908; Valid 450.0; Max. 0.449; Min. 0.0;

Variable Format: numeric

Notes: UNF:6:vL0BEsB4ihTKWSwFCEtwTg==

f10981093 Location:

Summary Statistics: StDev 144341.8974172087; Valid 50001.0; Mean 250000.0; Max. 500000.0; Min. 0.0;

Variable Format: numeric

Notes: UNF:6:V/U9HvwwVxWNkckdgyZ8FQ==

f10981093 Location:

Summary Statistics: StDev 0.021844909761454874; Min. 2.46452; Valid 50001.0; Mean 2.5642358522829545; Max. 2.65653

Variable Format: numeric

Notes: UNF:6:NgY9Yo49jWkHPLNNT4Ffpg==

f10981093 Location:

Summary Statistics: Max. 2.49626; Mean 2.137082567148657; Valid 50001.0; Min. 1.46468; StDev 0.22290974372735195;

Variable Format: numeric

Notes: UNF:6:zRV1/VzudJ5ZF9XkvuchKg==

f10981093 Location:

Summary Statistics: Mean 2.0379664232715347; Max. 2.44108; StDev 0.2519097193341114; Min. 1.46345; Valid 50001.0;

Variable Format: numeric

Notes: UNF:6:ddY1JdlWgojVXBHhhmG0vQ==

f10981093 Location:

Summary Statistics: Valid 50001.0; Min. 1.45158; Mean 2.0627469384612303; Max. 2.44807; StDev 0.25113259922865205

Variable Format: numeric

Notes: UNF:6:cmFrMQbHZBgg64EFMIbFQw==

f10981072 Location:

Summary Statistics: Valid 50001.0; Max. 500.0000305; Mean 250.00001186618152; Min. 0.0; StDev 144.34190426882398

Variable Format: numeric

Notes: UNF:6:o4bJPZiIJHF1SeSgobH+/g==

f10981072 Location:

Summary Statistics: Valid 50001.0; Min. 4.997E-4; StDev 0.05485271650692689; Max. 0.5372661; Mean 0.3198689799444011

Variable Format: numeric

Notes: UNF:6:e3jYqqAlvHfzCJ/397yf0A==

f10981079 Location:

Summary Statistics: Max. 573.0; StDev 129.7593927236098; Mean 349.0; Min. 125.0; Valid 449.0;

Variable Format: numeric

Notes: UNF:6:u3ROuXzVeX9ykyKc0jGfAA==

f10981079 Location:

Summary Statistics: Mean 0.18910066815144766; Max. 1.5015; Min. 0.0701; Valid 449.0; StDev 0.14212954909951403

Variable Format: numeric

Notes: UNF:6:f4ufbzXlxWzKnC3O0Kpdrw==

Label:

5x8m-ab-rs1-310k-0ns.pdb

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5x8m-ab-rs1-310k-100ns.pdb

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5x8m-ab-rs1-310k-150ns.pdb

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5x8m-ab-rs1-310k-200ns.pdb

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5x8m-ab-rs1-310k-250ns.pdb

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5x8m-ab-rs1-310k-300ns.pdb

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5x8m-ab-rs1-310k-350ns.pdb

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5x8m-ab-rs1-310k-400ns.pdb

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5x8m-ab-rs1-310k-450ns.pdb

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5x8m-ab-rs1-310k-500ns.pdb

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5x8m-ab-rs1-310k-50ns.pdb

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5x8m-ab-rs1-310k-res-sasa.xvg

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5x8m-ab-rs1-310k-rg.xvg

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5x8m-ab-rs1-310k-rmsd.xvg

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5x8m-ab-rs1-310k-rmsf.xvg

application/octet-stream

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5x8m-ab-rs1-310k-sasa.csv

text/comma-separated-values

Label:

5x8m-ab-rs1-310k-sasa.xvg

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5x8m-ab.pdb

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complex.gro

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dynamic-nopbc.xtc

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em.edr

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em.gro

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em.log

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em.mdp

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em.tpr

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em.trr

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ie.mdp

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ions.mdp

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ions.tpr

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md.mdp

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mdout.mdp

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md_0_10.cpt

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md_0_10.edr

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md_0_10.gro

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md_0_10.log

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md_0_10.tpr

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md_0_10_prev.cpt

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newbox.gro

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npt.cpt

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npt.edr

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npt.gro

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npt.log

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npt.mdp

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npt.tpr

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npt.trr

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nvt.cpt

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nvt.edr

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nvt.gro

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nvt.log

text/plain

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nvt.mdp

application/octet-stream

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nvt.tpr

application/octet-stream

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nvt.trr

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posre_Protein_chain_B.itp

application/vnd.shana.informed.formtemplate

Label:

posre_Protein_chain_C.itp

application/vnd.shana.informed.formtemplate

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solv.gro

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solv_ions.gro

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topol.top

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topol.top.1

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topol.top.2

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topol_Protein_chain_B.itp

application/vnd.shana.informed.formtemplate

Label:

topol_Protein_chain_C.itp

application/vnd.shana.informed.formtemplate

Label:

xvg2csv.py

text/x-python