Related data for: Role of membrane stretch in adsorption of antiviral peptides onto lipid membranes and membrane pore formation (doi:10.21979/N9/FPJXJT)

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Part 2: Study Description
Part 3: Data Files Description
Part 4: Variable Description
Part 5: Other Study-Related Materials
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Related data for: Role of membrane stretch in adsorption of antiviral peptides onto lipid membranes and membrane pore formation

doi:10.21979/N9/FPJXJT

DR-NTU (Data)

2021-12-16

1

Chng, Choon Peng; Cho, Nam-Joon; Hsia, K Jimmy; Huang, Changjin, 2021, "Related data for: Role of membrane stretch in adsorption of antiviral peptides onto lipid membranes and membrane pore formation", https://doi.org/10.21979/N9/FPJXJT, DR-NTU (Data), V1, UNF:6:pmfOkZuhxM4yN0hlCtLdzw== [fileUNF]

Related data for: Role of membrane stretch in adsorption of antiviral peptides onto lipid membranes and membrane pore formation

doi:10.21979/N9/FPJXJT

Chng, Choon Peng (Nanyang Technological University)

Cho, Nam-Joon (Nanyang Technological University)

Hsia, K Jimmy (Nanyang Technological University)

Huang, Changjin (Nanyang Technological University)

GROMACS

Grace/Xmgrace

R01HD086325

R01HD086325

M4082428

M4082352

Academic Research Fund Tier 1 RG92/19

DR-NTU (Data)

Huang, Changjin

Chng, Choon Peng

2021-11-30

https://doi.org/10.21979/N9/FPJXJT

Engineering, Medicine, Health and Life Sciences, Engineering, Medicine, Health and Life Sciences, Lipid bilayer membrane, Antiviral peptides, Molecular dynamics simulation

<p> Final research data for paper "Role of membrane stretch in adsorption of antiviral peptides onto lipid membranes and membrane pore formation" </p>

Data for figures in paper as XMGrace files.

10.1021/acs.langmuir.1c02067

Chng, C. P., Cho, N-J., Hsia, K. J., & Huang, C. (2021). Role of membrane stretch in adsorption of antiviral peptides onto lipid membranes and membrane pore formation. Langmuir 37(45):13390-13398.

10356/153448

Chng, C. P., Cho, N-J., Hsia, K. J., & Huang, C. (2021). Role of membrane stretch in adsorption of antiviral peptides onto lipid membranes and membrane pore formation. Langmuir 37(45):13390-13398

• Number of cases: 12

• No. of variables per record: 7

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

UNF:6:pmfOkZuhxM4yN0hlCtLdzw==

• A - A
• Strainlevel(%) - Strainlevel(%)
• Conformer - Conformer
• Ecoul(kJ/mol) - Ecoul(kJ/mol)
• ELJ(kJ/mol) - ELJ(kJ/mol)
• TotalE(kJ/mol) - TotalE(kJ/mol)
• G - G

f80718 Location:

Summary Statistics: Max. NaN; Valid 0.0; Mean NaN; StDev NaN; Min. NaN;

Variable Format: numeric

Notes: UNF:6:bbZf1Z/TVvZykUBXG1vNaw==

f80718 Location:

Summary Statistics: StDev 7.723929758166558; Min. 0.0; Mean 8.75; Max. 20.0; Valid 12.0

Variable Format: numeric

Notes: UNF:6:Rq+OnHfUKqcofjdFXFRtxw==

f80718 Location:

Variable Format: character

Notes: UNF:6:Z8wOJCBaUKdQFSB6zQvepg==

f80718 Location:

Summary Statistics: Valid 12.0; Min. -918.0; Mean -449.3333333333333; Max. -50.0; StDev 230.33151339017002;

Variable Format: numeric

Notes: UNF:6:FwgyA9/8VA1ADhGb4InDXA==

f80718 Location:

Summary Statistics: Max. -20.0; Min. -160.0; Valid 12.0; StDev 36.64158922053; Mean -65.66666666666667

Variable Format: numeric

Notes: UNF:6:gVbeeZPTdbhg4okvaBm4Ag==

f80718 Location:

Summary Statistics: Valid 12.0; Mean -515.0; StDev 246.78404250754068; Min. -1009.0; Max. -100.0;

Variable Format: numeric

Notes: UNF:6:YWn0Cgn5R1LQsQrwcm2YZg==

f80718 Location:

Summary Statistics: Min. NaN; Max. NaN; StDev NaN; Valid 0.0; Mean NaN;

Variable Format: numeric

Notes: UNF:6:bbZf1Z/TVvZykUBXG1vNaw==

Label:

BindingE_vs_vesicleSize_strip.xvg

Text:

XMGrace file containing data for AH-peptide interaction energy (averaged over lowest three energy values) vs vesicle sizes corresponding to the respective membrane area strain levels. Secondary component of Figure 4b of paper for the 0% strain data point.

application/octet-stream

Label:

BindingE_vs_vesicleSize_v2.xvg

Text:

XMGrace file containing data for AH-peptide interaction energy (averaged over lowest three energy values) vs vesicle sizes corresponding to the respective membrane area strain levels. Main component of Figure 4b of paper for 5, 10, 20% strain data points.

application/octet-stream

Label:

energies_pep-mem_strain0_run1.xvg

Text:

XMGrace file containing data for AH peptide-membrane interaction energies vs time for 1st simulation with un-stretched membrane. Figure S2a of paper.

application/octet-stream

Label:

energies_pep-mem_strain0_run2.xvg

Text:

XMGrace file containing data for AH peptide-membrane interaction energies vs time for 2nd simulation with un-stretched membrane. Figure S2a of paper.

application/octet-stream

Label:

energies_pep-mem_strain0_run3.xvg

Text:

XMGrace file containing data for AH peptide-membrane interaction energies vs time for 3rd simulation with un-stretched membrane. Figure S2a of paper.

application/octet-stream

Label:

energies_pep-mem_strain10_run1.xvg

Text:

XMGrace file containing data for AH peptide-membrane interaction energies vs time for 1st simulation with membrane at area strain of 10%. Figure S2b of paper.

application/octet-stream

Label:

energies_pep-mem_strain10_run2.xvg

Text:

XMGrace file containing data for AH peptide-membrane interaction energies vs time for 2nd simulation with membrane at area strain of 10%. Figure S2b of paper.

application/octet-stream

Label:

energies_pep-mem_strain10_run3.xvg

Text:

XMGrace file containing data for AH peptide-membrane interaction energies vs time for 3rd simulation with membrane at area strain of 10%. Figure S2b of paper.

application/octet-stream

Label:

mindist_pep-mem_3runs_stretched.xvg

Text:

XMGrace file containing data for the minimum peptide-membrane distance with time for stretched membrane. Figure 2d of paper.

application/octet-stream

Label:

mindist_pep-mem_3runs_unstretched.xvg

Text:

XMGrace file containing data for the minimum peptide-membrane distance with time for unstretched membrane. Figure 2c of paper.

application/octet-stream