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

Informations projet

CryoLigate

N° de convention de subvention: 101107036

DOI

10.3030/101107036

Date de signature de la CE 21 Avril 2023

Date de début 1 Novembre 2023

Date de fin 31 Octobre 2025

Financé au titre de

• Marie Skłodowska-Curie Actions (MSCA)

Coût total

Aucune donnée

Contribution de l’UE

€ 222 727,68

Coordonné par

KUNGLIGA TEKNISKA HOEGSKOLAN
Sweden

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Livrables

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

Auteurs: Samuel Eriksson Lidbrink, Rebecca J. Howard, Nandan Haloi, Erik Lindahl
Publié dans: PLOS Computational Biology, Numéro 21(7): e1013187, 2025, ISSN 1553-7358
Éditeur: PLOS
DOI: 10.1371/JOURNAL.PCBI.1013187

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

Auteurs: John Cowgill, Chen Fan, Nandan Haloi, Victor Tobiasson, Yuxuan Zhuang, Rebecca J. Howard, Erik Lindahl
Publié dans: Neuron, 2023, ISSN 1097-4199
Éditeur: 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

Auteurs: Nandan Haloi, Emelia Karlsson, Marc Delarue, Rebecca J. Howard, Erik Lindahl
Publié dans: Science Advances, Numéro 11, 2025, ISSN 2375-2548
Éditeur: 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

Auteurs: 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
Publié dans: Protein Engineering, Design and Selection, 2024, ISSN 1741-0134
Éditeur: oxford university press
DOI: 10.1093/protein/gzae003

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

Auteurs: Nandan Haloi, Samuel Eriksson Lidbrink, Rebecca J. Howard, Erik Lindahl
Publié dans: Science Advances, Numéro 11, 2025, ISSN 2375-2548
Éditeur: American Association for the Advancement of Science (AAAS)
DOI: 10.1126/sciadv.adq3788

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

Auteurs: Nandan Haloi, Rebecca J. Howard, Erik Lindahl
Publié dans: PLOS Computational Biology, Numéro 21(8): e1013367, 2025, ISSN 1553-7358
Éditeur: plos
DOI: 10.1371/JOURNAL.PCBI.1013367