<p>New binding site of the quorum sensing molecule N-3-Oxododecanoyl homoserine lactone with the transcriptional regulator LasR of <i>Pseudomonas aeruginosa</i>: insights from molecular docking and dynamics simulations</p>

Hovakim Grabski; Lernik Hunanyan; Susanna Tiratsuyan; Hrachik Vardapetyan

doi:10.7490/f1000research.1114539.1

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Grabski H, Hunanyan L, Tiratsuyan S and Vardapetyan H. New binding site of the quorum sensing molecule N-3-Oxododecanoyl homoserine lactone with the transcriptional regulator LasR of Pseudomonas aeruginosa: insights from molecular docking and dynamics simulations [version 1; not peer reviewed]. F1000Research 2017, 6(ISCB Comm J):1281 (poster) (https://doi.org/10.7490/f1000research.1114539.1)

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New binding site of the quorum sensing molecule N-3-Oxododecanoyl homoserine lactone with the transcriptional regulator LasR of Pseudomonas aeruginosa: insights from molecular docking and dynamics simulations

Hovakim Grabski¹, Lernik Hunanyan, Susanna Tiratsuyan, Hrachik Vardapetyan

Published 30 Jul 2017 (https://doi.org/10.7490/f1000research.1114539.1)

Author Affiliations

¹ Russian-Armenian University, Armenia

Copyright © 2017 Grabski H et al. This is an open access work distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Published 30 Jul 2017

New binding site of the quorum sensing molecule N-3-Oxododecanoyl homoserine lactone with the transcriptional regulator LasR of Pseudomonas aeruginosa: insights from molecular docking and dynamics simulations
[version 1; not peer reviewed]

Hovakim Grabski¹, Lernik Hunanyan, Susanna Tiratsuyan, Hrachik Vardapetyan

Author Affiliations

¹ Russian-Armenian University, Armenia

Presented at

Joint 25th Annual International Conference on Intelligent Systems for Molecular Biology (ISMB) and 16th European Conference on Computational Biology (ECCB) 2017

ISCB Student Council Symposium 2017

Abstract

Competing Interests

No competing interests were disclosed

Keywords

Superbug, peudomonas, aeruginosa, quorum, sensing, molecular, dynamics, docking, machine, learning, autoinducer, native, ligand, LasR, Scikit, Gromacs, Autodock, Vina, PCA, clustering

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New binding site of the quorum sensing molecule N-3-Oxododecanoyl homoserine lactone with the transcriptional regulator LasR of Pseudomonas aeruginosa: insights from molecular docking and dynamics simulations

New binding site of the quorum sensing molecule N-3-Oxododecanoyl homoserine lactone with the transcriptional regulator LasR of Pseudomonas aeruginosa: insights from molecular docking and dynamics simulations [version 1; not peer reviewed]

Terms relating to user comments

New binding site of the quorum sensing molecule N-3-Oxododecanoyl homoserine lactone with the transcriptional regulator LasR of Pseudomonas aeruginosa: insights from molecular docking and dynamics simulations
[version 1; not peer reviewed]