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pyHVis3D: Visualising Molecular Simulation deduced H-bond networks in 3D: Application to T-cell receptor interactions

Abstract:

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...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Accepted manuscript

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Files:
Publisher copy:
10.1093/bioinformatics/btx842

Authors


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Institution:
University of Oxford
Division:
MPLS Division
Department:
MPLS Doctoral Training Centre
Role:
Author
More by this author
Institution:
University of Oxford
Division:
Medical Sciences Division
Department:
Pathology Dunn School
Role:
Author
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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:
1460-2059
ISSN:
1367-4803
Pubs id:
pubs:813585
URN:
uri:60fbcb7c-5c92-4f17-a771-a40f08a16724
UUID:
uuid:60fbcb7c-5c92-4f17-a771-a40f08a16724
Local pid:
pubs:813585

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