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A Retrospective on the Development of Methods for the Analysis of Protein Conformational Ensembles

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Main Author: Steven, Hayward
Format: Book
Language:English
Published: Springer 2023
Subjects:
molecular dynamics
Coarse-graining methods
Online Access:https://link.springer.com/article/10.1007/s10930-023-10113-9
https://dlib.phenikaa-uni.edu.vn/handle/PNK/8193
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spelling oai:localhost:PNK-81932023-04-21T03:22:01Z A Retrospective on the Development of Methods for the Analysis of Protein Conformational Ensembles Steven, Hayward molecular dynamics Coarse-graining methods CC BY Analysing protein conformational ensembles whether from molecular dynamics (MD) simulation or other sources for functionally relevant conformational changes can be very challenging. In the nineteen nineties dimensional reduction methods were developed primarily for analysing MD trajectories to determine dominant motions with the aim of understanding their relationship to function. Coarse-graining methods were also developed so the conformational change between two structures could be described in terms of the relative motion of a small number of quasi-rigid regions rather than in terms of a large number of atoms. 2023-04-21T03:22:01Z 2023-04-21T03:22:01Z 2023 Book https://link.springer.com/article/10.1007/s10930-023-10113-9 https://dlib.phenikaa-uni.edu.vn/handle/PNK/8193 en application/pdf Springer
institution Digital Phenikaa
collection Digital Phenikaa
language English
topic molecular dynamics
Coarse-graining methods
spellingShingle molecular dynamics
Coarse-graining methods
Steven, Hayward
A Retrospective on the Development of Methods for the Analysis of Protein Conformational Ensembles
description CC BY
format Book
author Steven, Hayward
author_facet Steven, Hayward
author_sort Steven, Hayward
title A Retrospective on the Development of Methods for the Analysis of Protein Conformational Ensembles
title_short A Retrospective on the Development of Methods for the Analysis of Protein Conformational Ensembles
title_full A Retrospective on the Development of Methods for the Analysis of Protein Conformational Ensembles
title_fullStr A Retrospective on the Development of Methods for the Analysis of Protein Conformational Ensembles
title_full_unstemmed A Retrospective on the Development of Methods for the Analysis of Protein Conformational Ensembles
title_sort retrospective on the development of methods for the analysis of protein conformational ensembles
publisher Springer
publishDate 2023
url https://link.springer.com/article/10.1007/s10930-023-10113-9
https://dlib.phenikaa-uni.edu.vn/handle/PNK/8193
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score 8.881002

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