- Abstract:
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Motivation
Hydrogen bonds (H-bonds) play an essential role for many molecular interactions but are also often transient, making visualizing them in a flexible system challenging.
Results
We provide pyHVis3D which allows for an easy to interpret 3D visualisation of H-bonds resulting from molecular simulations. We demonstrate the power of pyHVis3D by using it to explain the changes in experimentally measured binding affinities for three T-cell receptor / peptide / M...
Expand abstract - Publication status:
- Published
- Peer review status:
- Peer reviewed
- Version:
- Accepted manuscript
- Files:
-
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(pdf, 319.2KB)
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- Publisher copy:
- 10.1093/bioinformatics/btx842
-
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- Publisher:
- Oxford University Press Publisher's website
- Journal:
- Bioinformatics Journal website
- Volume:
- 34
- Issue:
- 11
- Pages:
- 1941–1943
- Publication date:
- 2018-01-10
- Acceptance date:
- 2017-12-22
- DOI:
- EISSN:
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1460-2059
- ISSN:
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1367-4803
- Pubs id:
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pubs:813585
- URN:
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uri:60fbcb7c-5c92-4f17-a771-a40f08a16724
- UUID:
-
uuid:60fbcb7c-5c92-4f17-a771-a40f08a16724
- Local pid:
- pubs:813585
- Copyright holder:
- Knapp et al
- Copyright date:
- 2018
- Notes:
- © The Author(s) 2018. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com This is the accepted manuscript version of the article. The final version is available online from Oxford University Press at: https://doi.org/10.1093/bioinformatics/btx842
Journal article
pyHVis3D: Visualising Molecular Simulation deduced H-bond networks in 3D: Application to T-cell receptor interactions
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