Twinning for excellence in biophysics of protein interactions and self-assembly

Rezultaty

Report on dissemination, exploitation, and communication activities
Final report on staff exchanges outcomes
Final report on training schools

Data management plan
Updated Data management plan

Publikacje

Constant-pH MD simulations of the protonation-triggered conformational switching in diphtheria toxin translocation domain

Autorzy: Nuno F.B. Oliveira, Alexey S. Ladokhin, Miguel Machuqueiro
Opublikowane w: Biophysical Journal, Numer 123, 2024, ISSN 0006-3495
Wydawca: Elsevier BV
DOI: 10.1016/J.BPJ.2024.08.023

The Dimensionality of Hydrogen Bond Networks Induces Diverse Physical Properties of Peptide Crystals

Autorzy: Hui Yuan, Pierre-Andre Cazade, Chengqian Yuan, Bin Xue, Vijay Bhooshan Kumar, Rusen Yang, Gal Finkelstein-Zuta, Lihi Gershon, Maoz Lahav, Sigal Rencus-Lazar, Yi Cao, Davide Levy, Damien Thompson, Ehud Gazit
Opublikowane w: ACS Materials Letters, Numer 6, 2024, ISSN 2639-4979
Wydawca: American Chemical Society (ACS)
DOI: 10.34961/RESEARCHREPOSITORY-UL.26561434

Biophysical Studies of Amyloid-Binding Fluorophores to Tau AD Core Fibrils Formed without Cofactors

Autorzy: Daniela P. Freitas, Joana Saavedra, Isabel Cardoso, Cláudio M. Gomes
Opublikowane w: International Journal of Molecular Sciences, Numer 25, 2024, ISSN 1422-0067
Wydawca: MDPI AG
DOI: 10.3390/IJMS25189946

Recent advances on molecular dynamics-based techniques to address drug membrane permeability with atomistic detail

Autorzy: André M.M. Gomes, Paulo J. Costa, Miguel Machuqueiro
Opublikowane w: BBA Advances, Numer 4, 2023, ISSN 2667-1603
Wydawca: Elsevier BV
DOI: 10.1016/J.BBADVA.2023.100099

A human microglial cell model of autosomal recessive spastic ataxia of Charlevoix-Saguenay

Autorzy: Fernanda Murtinheira, Elisa Farsetti, Luana Macedo, Ana Sofia Boasinha, Mario S. Rodrigues, Adelaide Fernandes, Federico Herrera
Opublikowane w: Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease, Numer 1870, 2024, ISSN 0925-4439
Wydawca: Elsevier BV
DOI: 10.1016/J.BBADIS.2024.167452

S100B chaperone multimers suppress the formation of oligomers during Aβ42 aggregation

Autorzy: António J. Figueira, Joana Saavedra, Isabel Cardoso, Cláudio M. Gomes
Opublikowane w: Frontiers in Neuroscience, Numer 17, 2023, ISSN 1662-453X
Wydawca: Frontiers Media SA
DOI: 10.3389/FNINS.2023.1162741

Probing the Interactions of Thiazole Abietane Inhibitors with the Human Serine Hydrolases ABHD16A and ABHD12

Autorzy: Tiina J. Ahonen, Choa P. Ng, Beatriz Farinha, Bárbara Almeida, Bruno L. Victor, Christopher Reynolds, Eija Kalso, Jari Yli-Kauhaluoma, Jennifer Greaves, Vânia M. Moreira
Opublikowane w: ACS Medicinal Chemistry Letters, Numer 14, 2023, ISSN 1948-5875
Wydawca: American Chemical Society (ACS)
DOI: 10.1021/ACSMEDCHEMLETT.3C00313

Functional modulation of RAGE activation by multimeric S100B using single-domain antibodies

Autorzy: Margarida C. Simões, Joana S. Cristóvão, Els Pardon, Jan Steyaert, Günter Fritz, Cláudio M. Gomes
Opublikowane w: Journal of Biological Chemistry, Numer 300, 2024, ISSN 0021-9258
Wydawca: Elsevier BV
DOI: 10.1016/J.JBC.2024.107983

Molecular Engineering of Ordered Piezoelectric Sulfonic Acid‐Containing Assemblies

Autorzy: Hui Yuan, Pierre‐Andre Cazade, Shuaikang Zhou, Linda J. W. Shimon, Chengqian Yuan, Dan Tan, Cunshun Liu, Wei Fan, Vijayakanth Thangavel, Yi Cao, Damien Thompson, Xuehai Yan, Rusen Yang, Bin Xue, Ehud Gazit
Opublikowane w: Small, Numer 20, 2023, ISSN 1613-6810
Wydawca: Wiley
DOI: 10.1002/SMLL.202309493

Neuronal expression of S100B triggered by oligomeric Aβ peptide contributes to protection against cytoskeletal damage and synaptic loss

Autorzy: Joana Saavedra, Mariana Nascimento, António J. Figueira, Marina I. Oliveira da Silva, Tiago Gião, João Oliveira, Márcia A. Liz, Cláudio M. Gomes, Isabel Cardoso
Opublikowane w: Frontiers in Molecular Neuroscience, Numer 18, 2025, ISSN 1662-5099
Wydawca: Frontiers Media SA
DOI: 10.3389/FNMOL.2025.1636365

Is There a Functional Role for the Knotted Topology in Protein UCH-L1?

Autorzy: Sara G. F. Ferreira, Manoj K. Sriramoju, Shang-Te Danny Hsu, Patrícia F. N. Faísca, Miguel Machuqueiro
Opublikowane w: Journal of Chemical Information and Modeling, Numer 64, 2024, ISSN 1549-9596
Wydawca: American Chemical Society (ACS)
DOI: 10.1021/ACS.JCIM.4C00880

A selection and optimization strategy for single-domain antibodies targeting the PHF6 linear peptide within the tau intrinsically disordered protein

Autorzy: Justine Mortelecque, Orgeta Zejneli, Séverine Bégard, Margarida C. Simões, Lea ElHajjar, Marine Nguyen, François-Xavier Cantrelle, Xavier Hanoulle, Jean-Christophe Rain, Morvane Colin, Cláudio M. Gomes, Luc Buée, Isabelle Landrieu, Clément Danis, Elian Dupré
Opublikowane w: Journal of Biological Chemistry, Numer 300, 2024, ISSN 0021-9258
Wydawca: Elsevier BV
DOI: 10.1016/J.JBC.2024.107163EXTERNALLINK

Morphological and Biophysical Study of S100A9 Protein Fibrils by Atomic Force Microscopy Imaging and Nanomechanical Analysis

Autorzy: Ana P. Carapeto, Carlos Marcuello, Patrícia F. N. Faísca, Mário S. Rodrigues
Opublikowane w: Biomolecules, Numer 14, 2024, ISSN 2218-273X
Wydawca: MDPI AG
DOI: 10.3390/BIOM14091091

Role of topology in protein thermal stability

Autorzy: João N. C. Especial, Beatriz P. Teixeira, Ana Nunes, Miguel Machuqueiro, Patrícia F. N. Faísca
Opublikowane w: Physical Review Research, Numer 8, 2026, ISSN 2643-1564
Wydawca: American Physical Society (APS)
DOI: 10.1103/9KZY-W2TZ

Sacsin deletion decreases cell viscoelasticity and motility in a glial cell model of autosomal recessive spastic ataxia of Charlevoix Saguenay

Autorzy: Fernanda Murtinheira, João Belo, Ana Sofia Boasinha, Tiago T. Robalo, Vukosava M. Torres, Francisco R. Pinto, Constança Pimenta, Patricia Nascimento, Mario S. Rodrigues, Federico Herrera
Opublikowane w: Archives of Biochemistry and Biophysics, Numer 772, 2025, ISSN 0003-9861
Wydawca: Elsevier BV
DOI: 10.1016/J.ABB.2025.110569

Synthesis, Activity, Toxicity, and In Silico Studies of New Antimycobacterial N-Alkyl Nitrobenzamides

Autorzy: João P. Pais, Olha Antoniuk, David Pires, Tiago Delgado, Andreia Fortuna, Paulo J. Costa, Elsa Anes, Luis Constantino
Opublikowane w: Pharmaceuticals, Numer 17, 2024, ISSN 1424-8247
Wydawca: MDPI AG
DOI: 10.3390/PH17050608

Amyloid-like Structures in Marine Adhesive Proteins

Autorzy: Mariana Rodrigues Santos, Bárbara Joana Henriques, Romana Santos
Opublikowane w: Marine Drugs, Numer 23, 2025, ISSN 1660-3397
Wydawca: MDPI AG
DOI: 10.3390/MD23090363

Secondary Modification of S100B Influences Anti Amyloid-β Aggregation Activity and Alzheimer’s Disease Pathology

Autorzy: Romina Coelho, Chiara A. De Benedictis, Ann Katrin Sauer, António J. Figueira, Hélio Faustino, Andreas M. Grabrucker, Cláudio M. Gomes
Opublikowane w: International Journal of Molecular Sciences, Numer 25, 2024, ISSN 1422-0067
Wydawca: MDPI AG
DOI: 10.3390/IJMS25031787

S100B Mitigates Cytoskeletal and Mitochondrial Alterations in a Glial Cell Model of Autosomal Recessive Spastic Ataxia of Charlevoix-Saguenay

Autorzy: Ana Sofia Boasinha, Fernanda Murtinheira, Susana Solá, Cláudio M. Gomes, Federico Herrera
Opublikowane w: Molecular Neurobiology, Numer 62, 2025, ISSN 0893-7648
Wydawca: Springer Science and Business Media LLC
DOI: 10.1007/S12035-025-05057-3

Adding the AMBER 14SB Force Field to the Stochastic Titration CpHMD Method

Autorzy: João G. N. Sequeira, Adrian E. Roitberg, Miguel Machuqueiro
Opublikowane w: Journal of Chemical Theory and Computation, Numer 21, 2025, ISSN 1549-9618
Wydawca: American Chemical Society (ACS)
DOI: 10.26434/CHEMRXIV-2025-38NFP

Discrete Actuation of Water‐Responsive Crystalline Metal–Peptide Frameworks

Autorzy: Hui Yuan, Yiming Tang, Elma Naranjo, Pierre‐Andre Cazade, Yifei Yao, Vijayakanth Thangavel, Rusen Yang, Sigal Rencus‐Lazar, Damien Thompson, Linda J. W. Shimon, Guanghong Wei, Xi Chen, Ehud Gazit
Opublikowane w: Angewandte Chemie International Edition, Numer 64, 2025, ISSN 1433-7851
Wydawca: Wiley
DOI: 10.1002/ANIE.202513629

Decoding the secrets: how conformational and structural regulators inhibit the human 20S proteasome

Autorzy: Pedro M. P. Fernandes, Romina A. Guedes, Bruno L. Victor, Jorge A. R. Salvador, Rita C. Guedes
Opublikowane w: Frontiers in Chemistry, Numer 11, 2024, ISSN 2296-2646
Wydawca: Frontiers Media SA
DOI: 10.3389/FCHEM.2023.1322628

Is spastic ataxia 8 a protein misfolding disorder?

Autorzy: Pedro Ferreira-Peralta, Brenda França, Fernanda Murtinheira, Mario S. Rodrigues, Federico Herrera
Opublikowane w: Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease, Numer 1870, 2024, ISSN 0925-4439
Wydawca: Elsevier BV
DOI: 10.1016/J.BBADIS.2023.166882

Asymmetric post-translational modifications regulate the nuclear translocation of STAT3 homodimers in response to leukemia inhibitory factor

Autorzy: Mickael Diallo, Constança Pimenta, Fernanda Murtinheira, Daniela Martins-Alves, Francisco R. Pinto, André Abrantes da Costa, Ricardo Letra-Vilela, Vanesa Martin, Carmen Rodriguez, Mário S. Rodrigues, Federico Herrera
Opublikowane w: Cellular Oncology, Numer 47, 2023, ISSN 2211-3428
Wydawca: Springer Science and Business Media LLC
DOI: 10.21203/RS.3.RS-3188959/V1

Unraveling the Aquaporin-3 Inhibitory Effect of Rottlerin by Experimental and Computational Approaches

Autorzy: Inês Paccetti-Alves, Marta S. P. Batista, Catarina Pimpão, Bruno L. Victor, Graça Soveral
Opublikowane w: International Journal of Molecular Sciences, Numer 24, 2023, ISSN 1422-0067
Wydawca: MDPI AG
DOI: 10.3390/IJMS24066004

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