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Dataset to support the Southampton Doctoral thesis entitled 'The study and development of accelerated sampling algorithms for classical biomolecular dynamics'

Dataset to support the Southampton Doctoral thesis entitled 'The study and development of accelerated sampling algorithms for classical biomolecular dynamics'
Dataset to support the Southampton Doctoral thesis entitled 'The study and development of accelerated sampling algorithms for classical biomolecular dynamics'
This dataset supports the results chapters (Chapters 5 and 6) of the aformentioned thesis. The dataset entry is comprised of a set of compressed tarballs (.tar.gz) format containing datafiles, pickled data dictionaries and NumPy array files that can be used to reproduce the analysis and plots presented in these chapters. In order to extract these files, the following command can be executed in any bash/sh terminal:- tar -xvzf <name of tarball file> .
University of Southampton
Abdel Maksoud, Khaled
cdea7402-2ad7-4231-ade1-93ae79d4106a
Abdel Maksoud, Khaled
cdea7402-2ad7-4231-ade1-93ae79d4106a

Abdel Maksoud, Khaled (2022) Dataset to support the Southampton Doctoral thesis entitled 'The study and development of accelerated sampling algorithms for classical biomolecular dynamics'. University of Southampton doi:10.5258/SOTON/D2296 [Dataset]

Record type: Dataset

Abstract

This dataset supports the results chapters (Chapters 5 and 6) of the aformentioned thesis. The dataset entry is comprised of a set of compressed tarballs (.tar.gz) format containing datafiles, pickled data dictionaries and NumPy array files that can be used to reproduce the analysis and plots presented in these chapters. In order to extract these files, the following command can be executed in any bash/sh terminal:- tar -xvzf <name of tarball file> .

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thesis_readme_maksoud.txt - Dataset
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tchap5_data1.tar.gz - Dataset
Available under License Creative Commons Attribution.
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tchap6_data1.tar.gz - Dataset
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tchap5_data2.tar.gz - Dataset
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tchap6_data1_1_.tar.gz - Dataset
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More information

Published date: July 2022
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Identifiers

Local EPrints ID: 467618
URI: http://eprints.soton.ac.uk/id/eprint/467618
DOI: doi:10.5258/SOTON/D2296
PURE UUID: 1afe4865-5ba7-470e-86b8-120a23b31908

Catalogue record

Date deposited: 15 Jul 2022 16:46
Last modified: 05 May 2023 19:55

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Contributors

Creator: Khaled Abdel Maksoud

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