Characterizing ligand-protein interactions with a cryo-EM data-driven modeling approach

Project Information

CryoLigate

Grant agreement ID: 101107036

DOI

10.3030/101107036

EC signature date 21 April 2023

Start date 1 November 2023

End date 31 October 2025

Funded under

• Marie Skłodowska-Curie Actions (MSCA)

Total cost

No data

EU contribution

€ 222 727,68

Coordinated by

KUNGLIGA TEKNISKA HOEGSKOLAN
Sweden

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Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Deliverables

Documents, reports (2)

Communication, Dissemination & Exploitation Plan

The plan describes the planned measures to maximize the impact of the project, including the dissemination and exploitation measures that are planned, and the target group(s) addressed. Regarding communication measures and public engagement strategy, the aim is to inform and reach out to society and show the activities performed, and the use and the benefits the project will have for citizens.

Data Management Plan

Data Management Plan Description: The Data Management Plan describes the data management life cycle for all data sets that will be collected, processed or generated by the action. It is a document describing what data will be collected, processed or generated and following what methodology and standards, whether and how this data will be shared and/or made open, and how it will be curated and preserved.

Publications

Peer reviewed articles (6)

Resolving the conformational ensemble of a membrane protein by integrating small-angle scattering with AlphaFold

Author(s): Samuel Eriksson Lidbrink, Rebecca J. Howard, Nandan Haloi, Erik Lindahl
Published in: PLOS Computational Biology, Issue 21(7): e1013187, 2025, ISSN 1553-7358
Publisher: PLOS
DOI: 10.1371/JOURNAL.PCBI.1013187

Structure and dynamics of differential ligand binding in the human ρ-type GABAA receptor

Author(s): John Cowgill, Chen Fan, Nandan Haloi, Victor Tobiasson, Yuxuan Zhuang, Rebecca J. Howard, Erik Lindahl
Published in: Neuron, 2023, ISSN 1097-4199
Publisher: Elsevier
DOI: 10.1016/j.neuron.2023.08.006

Discovering cryptic pocket opening and binding of a stimulant derivative in a vestibular site of the 5-HT _3A receptor

Author(s): Nandan Haloi, Emelia Karlsson, Marc Delarue, Rebecca J. Howard, Erik Lindahl
Published in: Science Advances, Issue 11, 2025, ISSN 2375-2548
Publisher: American Association for the Advancement of Science (AAAS)
DOI: 10.1126/SCIADV.ADR0797

Interactive computational and experimental approaches improve the sensitivity of periplasmic binding protein-based nicotine biosensors for measurements in biofluids

Author(s): Nandan Haloi, Shan Huang, Aaron L Nichols, Eve J Fine, Nicholas J Friesenhahn, Christopher B Marotta, Dennis A Dougherty, Erik Lindahl, Rebecca J Howard, Stephen L Mayo, Henry A Lester
Published in: Protein Engineering, Design and Selection, 2024, ISSN 1741-0134
Publisher: oxford university press
DOI: 10.1093/protein/gzae003

Adaptive sampling–based structural prediction reveals opening of a GABA _A receptor through the αβ interface

Author(s): Nandan Haloi, Samuel Eriksson Lidbrink, Rebecca J. Howard, Erik Lindahl
Published in: Science Advances, Issue 11, 2025, ISSN 2375-2548
Publisher: American Association for the Advancement of Science (AAAS)
DOI: 10.1126/sciadv.adq3788

Cryo-EM ligand building using AlphaFold3-like model and molecular dynamics

Author(s): Nandan Haloi, Rebecca J. Howard, Erik Lindahl
Published in: PLOS Computational Biology, Issue 21(8): e1013367, 2025, ISSN 1553-7358
Publisher: plos
DOI: 10.1371/JOURNAL.PCBI.1013367