Hybrid approach to structure modeling of the histamine H3 receptor: Multi-level assessment as a tool for model verification

Jakub Jończyk; Barbara Malawska; Marek Bajda

doi:10.1371/journal.pone.0186108

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Open Access

Peer-reviewed

Research Article

Hybrid approach to structure modeling of the histamine H3 receptor: Multi-level assessment as a tool for model verification

Jakub Jończyk,

Roles Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Software, Validation, Visualization, Writing – original draft

Affiliation Department of Physicochemical Drug Analysis, Faculty of Pharmacy, Jagiellonian University Medical College, Krakow, Poland
⨯
Barbara Malawska,

Roles Funding acquisition, Resources, Supervision, Writing – review & editing

Affiliation Department of Physicochemical Drug Analysis, Faculty of Pharmacy, Jagiellonian University Medical College, Krakow, Poland
⨯
Marek Bajda

Roles Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Software, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing

* E-mail: marek.bajda@uj.edu.pl

Affiliation Department of Physicochemical Drug Analysis, Faculty of Pharmacy, Jagiellonian University Medical College, Krakow, Poland

http://orcid.org/0000-0001-6032-0354

⨯

Hybrid approach to structure modeling of the histamine H3 receptor: Multi-level assessment as a tool for model verification

Jakub Jończyk,
Barbara Malawska,
Marek Bajda

Published: October 5, 2017
https://doi.org/10.1371/journal.pone.0186108

About the Authors

Jakub Jończyk

Roles Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Software, Validation, Visualization, Writing – original draft

Affiliation Department of Physicochemical Drug Analysis, Faculty of Pharmacy, Jagiellonian University Medical College, Krakow, Poland

Barbara Malawska

Roles Funding acquisition, Resources, Supervision, Writing – review & editing

Affiliation Department of Physicochemical Drug Analysis, Faculty of Pharmacy, Jagiellonian University Medical College, Krakow, Poland

Marek Bajda

Roles Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Software, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing

* E-mail: marek.bajda@uj.edu.pl

Affiliation Department of Physicochemical Drug Analysis, Faculty of Pharmacy, Jagiellonian University Medical College, Krakow, Poland

http://orcid.org/0000-0001-6032-0354

Competing Interests

The authors have declared that no competing interests exist.

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Histamine
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Crystal structure
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Imidazole
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Amines
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Sequence alignment
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G protein coupled receptors
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Hydrogen bonding
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Salt bridges
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