Related Data for: PESI: Paratope-Epitope Set Interaction for SARS-CoV-2 Neutralization Prediction (doi:10.21979/N9/IZZKTZ)

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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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Document Description

Citation

Title:

Related Data for: PESI: Paratope-Epitope Set Interaction for SARS-CoV-2 Neutralization Prediction

Identification Number:

doi:10.21979/N9/IZZKTZ

Distributor:

DR-NTU (Data)

Date of Distribution:

2025-02-03

Version:

1

Bibliographic Citation:

Rashid, Shamima; Wan, Zhang; Kwoh, Chee Keong; Lin, Zhuoyi; Ng, Shaun Yue Hao; Yin, Rui; Senthilnath, J., 2025, "Related Data for: PESI: Paratope-Epitope Set Interaction for SARS-CoV-2 Neutralization Prediction", https://doi.org/10.21979/N9/IZZKTZ, DR-NTU (Data), V1, UNF:6:XqxFQ/x98XTQs7+Ns8GGJw== [fileUNF]

Study Description

Citation

Title:

Related Data for: PESI: Paratope-Epitope Set Interaction for SARS-CoV-2 Neutralization Prediction

Subtitle:

Coronavirus Neutralization Data (Epitope and Paratope Sequences)

Identification Number:

doi:10.21979/N9/IZZKTZ

Authoring Entity:

Rashid, Shamima (Nanyang Technological University)

Wan, Zhang (Nanyang Technological University)

Kwoh, Chee Keong (Nanyang Technological University)

Lin, Zhuoyi (Institute for Infocomm Research, Agency for Science, Technology and Research)

Ng, Shaun Yue Hao (Nanyang Technological University)

Yin, Rui (University of Florida)

Senthilnath, J. (Institute for Infocomm Research, Agency for Science, Technology and Research)

Software used in Production:

PyMOL

Grant Number:

MOE2019-T2-2-175

Grant Number:

MOE2020-T1-001-130

Distributor:

DR-NTU (Data)

Access Authority:

Rashid, Shamima

Access Authority:

Chee Keong, Kwoh

Depositor:

Rashid, Shamima

Date of Deposit:

2024-06-18

Holdings Information:

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

Study Scope

Keywords:

Chemistry, Computer and Information Science, Medicine, Health and Life Sciences, Chemistry, Computer and Information Science, Medicine, Health and Life Sciences, Epitopes, Paratopes, Coronavirus

Abstract:

This dataset contains 3 versions of epitope-paratope data and their neutralizing data for the SARS-CoV 2 virus. We pre-processed and annotated antibody-antigen binding data from the Observed Antibody Space (OAS) database to obtain these paratopes and epitopes.

Kind of Data:

Tabular

Methodology and Processing

Sources Statement

Data Access

Other Study Description Materials

Related Studies

<a href="https://github.com/shamimarashid/GCN_EpiPred">https://github.com/shamimarashid/GCN_EpiPred</a>

Related Publications

Citation

Identification Number:

10.1109/BIBM58861.2023.10386059

Bibliographic Citation:

Wan, Z., Lin, Z., Rashid, S., Ng, S. Y. H., Yin, R., Senthilnath, J., & Kwoh, C. K. (2023, December). PESI: Paratope-Epitope Set Interaction for SARS-CoV-2 Neutralization Prediction. In 2023 IEEE International Conference on Bioinformatics and Biomedicine (BIBM) (pp. 49-56). IEEE.

Citation

Identification Number:

10356/178506

Bibliographic Citation:

Wan, Z., Lin, Z., Rashid, S., Ng, S. Y. H., Yin, R., Senthilnath, J., & Kwoh, C. K. (2023, December). PESI: Paratope-Epitope Set Interaction for SARS-CoV-2 Neutralization Prediction. In 2023 IEEE International Conference on Bioinformatics and Biomedicine (BIBM) (pp. 49-56). IEEE.

Other Reference Note(s)

<a href="https://github.com/shamimarashid/GCN_EpiPred">https://github.com/shamimarashid/GCN_EpiPred</a>

File Description--f139739

File: CoV-AbDab_310.tab

  • Number of cases: 310

  • No. of variables per record: 6

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

Notes:

UNF:6:1S8xNlxC/A5bjyz5wcJXPQ==

File Description--f139729

File: CoV-AbDab_extract.tab

  • Number of cases: 310

  • No. of variables per record: 5

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

Notes:

UNF:6:GtERqAvwJ8cPApagJMT+dg==

Variable Description

List of Variables:

Variables

Index

f139739 Location:

Summary Statistics: Max. 310.0; StDev 89.63351307779176; Valid 310.0; Mean 155.5; Min. 1.0

Variable Format: numeric

Notes: UNF:6:p7aFWkQhCrw0sJsgbBYqwQ==

AB_name

f139739 Location:

Variable Format: character

Notes: UNF:6:KaQfovRMc9OVfnvITCRWsw==

PDBID

f139739 Location:

Variable Format: character

Notes: UNF:6:ZkStIw+73ICrD1oP5ucRMw==

Class

f139739 Location:

Summary Statistics: Mean 0.7354838709677419; Valid 310.0; StDev 0.4417883538270327; Min. 0.0; Max. 1.0

Variable Format: numeric

Notes: UNF:6:+VTXxqxe2KQz3IowImOUaQ==

Paratope

f139739 Location:

Variable Format: character

Notes: UNF:6:3/OtTuP/LPa0W5X0JMT5NA==

Epitope

f139739 Location:

Variable Format: character

Notes: UNF:6:L2wVbbdAAw7R68zbc75HuQ==

Index

f139729 Location:

Summary Statistics: Max. 310.0; Min. 1.0; Mean 155.5; Valid 310.0; StDev 89.63351307779176

Variable Format: numeric

Notes: UNF:6:p7aFWkQhCrw0sJsgbBYqwQ==

AB_name

f139729 Location:

Variable Format: character

Notes: UNF:6:KaQfovRMc9OVfnvITCRWsw==

Class

f139729 Location:

Summary Statistics: Max. 1.0; Mean 0.7354838709677419; Min. 0.0; Valid 310.0; StDev 0.4417883538270327

Variable Format: numeric

Notes: UNF:6:+VTXxqxe2KQz3IowImOUaQ==

Paratope

f139729 Location:

Variable Format: character

Notes: UNF:6:UTdpre4c20adwz08iQ0DDw==

Epitope

f139729 Location:

Variable Format: character

Notes: UNF:6:L2wVbbdAAw7R68zbc75HuQ==

Other Study-Related Materials

Label:

Citation

Text:

Citation Information

Notes:

text/plain; charset=US-ASCII

Other Study-Related Materials

Label:

CoV-AbDab_281221_Shaun.xlsx

Text:

Raw Data

Notes:

application/vnd.openxmlformats-officedocument.spreadsheetml.sheet

Other Study-Related Materials

Label:

data_preprocessing.py

Notes:

text/x-python

Other Study-Related Materials

Label:

GCN_EpiPred_FinalNov2023.ipynb

Notes:

application/x-ipynb+json

Other Study-Related Materials

Label:

README.md

Notes:

text/markdown