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

Información del proyecto

CryoLigate

Identificador del acuerdo de subvención: 101107036

DOI

10.3030/101107036

Proyecto cerrado

Fecha de la firma de la CE 21 Abril 2023

Fecha de inicio 1 Noviembre 2023

Fecha de finalización 31 Octubre 2025

Financiado con arreglo a

• Marie Skłodowska-Curie Actions (MSCA)

Coste total

Sin datos

Aportación de la UE

€ 222 727,68

Coordinado por

KUNGLIGA TEKNISKA HOEGSKOLAN
Sweden

CORDIS proporciona enlaces a los documentos públicos y las publicaciones de los proyectos de los programas marco HORIZONTE.

Los enlaces a los documentos y las publicaciones de los proyectos del Séptimo Programa Marco, así como los enlaces a algunos tipos de resultados específicos, como conjuntos de datos y «software», se obtienen dinámicamente de OpenAIRE .

Resultado final

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.

Publicaciones

Peer reviewed articles (7)

Modeling cryo-EM structures in alternative states with AlphaFold2-based models and density-guided simulations

Autores: Tatiana Shugaeva, Rebecca J. Howard, Nandan Haloi, Erik Lindahl
Publicado en: Communications Chemistry, Edición 8, 2025, ISSN 2399-3669
Editor: Springer Science and Business Media LLC
DOI: 10.1038/S42004-025-01751-4

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

Autores: Samuel Eriksson Lidbrink, Rebecca J. Howard, Nandan Haloi, Erik Lindahl
Publicado en: PLOS Computational Biology, Edición 21(7): e1013187, 2025, ISSN 1553-7358
Editor: PLOS
DOI: 10.1371/JOURNAL.PCBI.1013187

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

Autores: John Cowgill, Chen Fan, Nandan Haloi, Victor Tobiasson, Yuxuan Zhuang, Rebecca J. Howard, Erik Lindahl
Publicado en: Neuron, 2023, ISSN 1097-4199
Editor: 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

Autores: Nandan Haloi, Emelia Karlsson, Marc Delarue, Rebecca J. Howard, Erik Lindahl
Publicado en: Science Advances, Edición 11, 2025, ISSN 2375-2548
Editor: 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

Autores: 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
Publicado en: Protein Engineering, Design and Selection, 2024, ISSN 1741-0134
Editor: oxford university press
DOI: 10.1093/protein/gzae003

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

Autores: Nandan Haloi, Samuel Eriksson Lidbrink, Rebecca J. Howard, Erik Lindahl
Publicado en: Science Advances, Edición 11, 2025, ISSN 2375-2548
Editor: American Association for the Advancement of Science (AAAS)
DOI: 10.1126/sciadv.adq3788

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

Autores: Nandan Haloi, Rebecca J. Howard, Erik Lindahl
Publicado en: PLOS Computational Biology, Edición 21(8): e1013367, 2025, ISSN 1553-7358
Editor: plos
DOI: 10.1371/JOURNAL.PCBI.1013367