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

Informazioni relative al progetto

TWIN2PIPSA

ID dell’accordo di sovvenzione: 101079147

DOI

10.3030/101079147

Progetto chiuso

Data della firma CE 4 Luglio 2022

Data di avvio 1 Ottobre 2022

Data di completamento 31 Marzo 2026

Finanziato da

• Widening participation and spreading excellence

Costo totale

€ 1 228 957,00

Contributo UE

€ 1 228 957,00

Coordinato da

FCIENCIAS.ID - ASSOCIACAO PARA A INVESTIGACAO E DESENVOLVIMENTO DE CIENCIAS
Portugal

CORDIS fornisce collegamenti ai risultati finali pubblici e alle pubblicazioni dei progetti ORIZZONTE.

I link ai risultati e alle pubblicazioni dei progetti del 7° PQ, così come i link ad alcuni tipi di risultati specifici come dataset e software, sono recuperati dinamicamente da .OpenAIRE .

Risultati finali

Data Management Plan (1)

Data management plan

Websites, patent fillings, videos etc. (1)

Project website and digital platform structure

Pubblicazioni

Peer reviewed articles (44)

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

Autori: Nuno F.B. Oliveira, Alexey S. Ladokhin, Miguel Machuqueiro
Pubblicato in: Biophysical Journal, Numero 123, 2024, ISSN 0006-3495
Editore: Elsevier BV
DOI: 10.1016/J.BPJ.2024.08.023

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

Autori: 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
Pubblicato in: ACS Materials Letters, Numero 6, 2024, ISSN 2639-4979
Editore: American Chemical Society (ACS)
DOI: 10.34961/RESEARCHREPOSITORY-UL.26561434

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

Autori: Pedro M. P. Fernandes; Romina A. Guedes; Bruno L. Victor; Jorge A. R. Salvador; Rita C. Guedes
Pubblicato in: Frontiers in Chemistry, Numero 11-2023, 2024, ISSN 2296-2646
Editore: Frontiers Media
DOI: 10.3389/fchem.2023.1322628

Cyclic Peptides as Aggregation Inhibitors for Sickle Cell Disease

Autori: Vasco Neto; Bruno Lourenço Victor; Nuno Galamba
Pubblicato in: Journal of Medicinal Chemistry, 2023, ISSN 0022-2623
Editore: American Chemical Society
DOI: 10.26434/chemrxiv-2023-qrzl0

S100B chaperone multimers suppress the formation of oligomers during Aβ42 aggregation

Autori: António J. Figueira; Joana Saavedra; Isabel Cardoso; Cláudio M. Gomes
Pubblicato in: Frontiers in Neuroscience, 2023, ISSN 1662-453X
Editore: Frontiers
DOI: 10.3389/fnins.2023.1162741

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

Autori: Daniela P. Freitas, Joana Saavedra, Isabel Cardoso, Cláudio M. Gomes
Pubblicato in: International Journal of Molecular Sciences, Numero 25, 2024, ISSN 1422-0067
Editore: MDPI AG
DOI: 10.3390/IJMS25189946

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

Autori: André M.M. Gomes, Paulo J. Costa, Miguel Machuqueiro
Pubblicato in: BBA Advances, Numero 4, 2023, ISSN 2667-1603
Editore: Elsevier BV
DOI: 10.1016/J.BBADVA.2023.100099

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

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

S100B chaperone multimers suppress the formation of oligomers during Aβ42 aggregation

Autori: António J. Figueira, Joana Saavedra, Isabel Cardoso, Cláudio M. Gomes
Pubblicato in: Frontiers in Neuroscience, Numero 17, 2023, ISSN 1662-453X
Editore: Frontiers Media SA
DOI: 10.3389/FNINS.2023.1162741

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

Autori: Romina Coelho; Chiara A. De Benedictis; Ann Katrin Sauer; António J. Figueira; Hélio Faustino; Andreas M. Grabrucker; Cláudio M. Gomes
Pubblicato in: International Journal of Molecular Sciences, 2024, ISSN 1422-0067
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms25031787

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

Autori: 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
Pubblicato in: ACS Medicinal Chemistry Letters, Numero 14, 2023, ISSN 1948-5875
Editore: American Chemical Society (ACS)
DOI: 10.1021/ACSMEDCHEMLETT.3C00313

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

Autori: Margarida C. Simões, Joana S. Cristóvão, Els Pardon, Jan Steyaert, Günter Fritz, Cláudio M. Gomes
Pubblicato in: Journal of Biological Chemistry, Numero 300, 2024, ISSN 0021-9258
Editore: Elsevier BV
DOI: 10.1016/J.JBC.2024.107983

Molecular Engineering of Ordered Piezoelectric Sulfonic Acid‐Containing Assemblies

Autori: 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
Pubblicato in: Small, Numero 20, 2023, ISSN 1613-6810
Editore: Wiley
DOI: 10.1002/SMLL.202309493

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

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

Intrinsic bond strength index as a halogen bond interaction energy predictor

Autori: Ona Šivickytė, Paulo J. Costa
Pubblicato in: Physical Chemistry Chemical Physics, Numero 25, 2023, ISSN 1463-9076
Editore: Royal Society of Chemistry (RSC)
DOI: 10.26434/CHEMRXIV-2022-C6NPJ-V3

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

Autori: Sara G. F. Ferreira, Manoj K. Sriramoju, Shang-Te Danny Hsu, Patrícia F. N. Faísca, Miguel Machuqueiro
Pubblicato in: Journal of Chemical Information and Modeling, Numero 64, 2024, ISSN 1549-9596
Editore: 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

Autori: 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
Pubblicato in: Journal of Biological Chemistry, Numero 300, 2024, ISSN 0021-9258
Editore: 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

Autori: Ana P. Carapeto, Carlos Marcuello, Patrícia F. N. Faísca, Mário S. Rodrigues
Pubblicato in: Biomolecules, Numero 14, 2024, ISSN 2218-273X
Editore: MDPI AG
DOI: 10.3390/BIOM14091091

Role of topology in protein thermal stability

Autori: João N. C. Especial, Beatriz P. Teixeira, Ana Nunes, Miguel Machuqueiro, Patrícia F. N. Faísca
Pubblicato in: Physical Review Research, Numero 8, 2026, ISSN 2643-1564
Editore: 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

Autori: 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
Pubblicato in: Archives of Biochemistry and Biophysics, Numero 772, 2025, ISSN 0003-9861
Editore: Elsevier BV
DOI: 10.1016/J.ABB.2025.110569

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

Autori: Inês Paccetti-Alves; Marta S. P. Batista; Catarina Pimpão; Bruno L. Victor; Graça Soveral
Pubblicato in: International Journal of Molecular Sciences; Volume 24; Numero 6; Pages: 6004, 2023, ISSN 1422-0067
Editore: MDPI
DOI: 10.3390/ijms24066004

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

Autori: Tiina J. Ahonen; Choa P. N; Beatriz Farinha; Bárbara Almeida; Bruno L. Victor; Christopher Reynolds; Eija Kalso; Jari Yli-Kauhaluoma; Jennifer Greaves; Vânia M. Moreira
Pubblicato in: ACS Medicinal Chemistry Letters, 2023, ISSN 1948-5875
Editore: American Chemical Society
DOI: 10.1021/acsmedchemlett.3c00313

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

Autori: João P. Pais, Olha Antoniuk, David Pires, Tiago Delgado, Andreia Fortuna, Paulo J. Costa, Elsa Anes, Luis Constantino
Pubblicato in: Pharmaceuticals, Numero 17, 2024, ISSN 1424-8247
Editore: MDPI AG
DOI: 10.3390/PH17050608

Conformation-Driven Phase Separation in the Linker Domain of Focal Adhesion Kinases

Autori: Lucy Martin, Daniela P. Freitas, Emmanuelle Boll, Alain Brans, Justine Mortelecque, François-Xavier Cantrelle, Pierre Dourlen, Cláudio M. Gomes, Clément Danis, Isabelle Landrieu
Pubblicato in: Biochemistry, Numero 64, 2025, ISSN 0006-2960
Editore: American Chemical Society (ACS)
DOI: 10.1021/ACS.BIOCHEM.4C00677

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

Autori: 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
Pubblicato in: Cellular Oncology, 2023, ISSN 2211-3436
Editore: Springer Nature
DOI: 10.21203/rs.3.rs-3188959/v1

Assessment of Halogen Off-Center Point-Charge Models Using Explicit Solvent Simulations

Autori: Andreia Fortuna; Paulo J. Costa
Pubblicato in: Journal of Chemical Information and Modeling, 2023, ISSN 1549-9596
Editore: ACS Publications
DOI: 10.26434/chemrxiv-2023-sgbfb

Cyclic Peptides as Aggregation Inhibitors for Sickle Cell Disease

Autori: Vasco Neto, Bruno Lourenço Victor, Nuno Galamba
Pubblicato in: Journal of Medicinal Chemistry, Numero 66, 2023, ISSN 0022-2623
Editore: American Chemical Society (ACS)
DOI: 10.26434/CHEMRXIV-2023-QRZL0

Assessment of Halogen Off-Center Point-Charge Models Using Explicit Solvent Simulations

Autori: Andreia Fortuna, Paulo J. Costa
Pubblicato in: Journal of Chemical Information and Modeling, Numero 63, 2023, ISSN 1549-9596
Editore: American Chemical Society (ACS)
DOI: 10.26434/CHEMRXIV-2023-SGBFB

Amyloid-like Structures in Marine Adhesive Proteins

Autori: Mariana Rodrigues Santos, Bárbara Joana Henriques, Romana Santos
Pubblicato in: Marine Drugs, Numero 23, 2025, ISSN 1660-3397
Editore: MDPI AG
DOI: 10.3390/MD23090363

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

Autori: Romina Coelho, Chiara A. De Benedictis, Ann Katrin Sauer, António J. Figueira, Hélio Faustino, Andreas M. Grabrucker, Cláudio M. Gomes
Pubblicato in: International Journal of Molecular Sciences, Numero 25, 2024, ISSN 1422-0067
Editore: MDPI AG
DOI: 10.3390/IJMS25031787

Is spastic ataxia 8 a protein misfolding disorder?

Autori: Pedro Ferreira-Peralta; Brenda França; Fernanda Murtinheira; Mario S. Rodrigues; Federico Herrera
Pubblicato in: Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease, 2023, ISSN 0925-4439
Editore: Elsevier B.V.
DOI: 10.1016/j.bbadis.2023.166882

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

Autori: André M.M. Gomes; Paulo J. Costa; Miguel Machuqueiro
Pubblicato in: BBA Advances, 2023, ISSN 2667-1603
Editore: Elsevier B.V.
DOI: 10.1016/j.bbadva.2023.100099

Influence of Iodine Merz–Singh–Kollman Radius on the Calculated Charges and Hydration Free Energies of Iodinated Molecules

Autori: Andreia Fortuna; Pedro M. S. Suzano; Miguel Machuqueiro; Paulo J. Costa
Pubblicato in: Journal of Computational Biophysics and Chemistry, Numero 04, 2024, ISSN 2737-4165
Editore: World Scientific Publishing
DOI: 10.1142/S2737416523500722

Journal of Biological Chemistry

Autori: 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; ClémenDanis C, Dupré E.
Pubblicato in: Journal of Biological Chemistry, Numero 4, 2024, ISSN 0021-9258
Editore: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2024.107163

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

Autori: Ana Sofia Boasinha, Fernanda Murtinheira, Susana Solá, Cláudio M. Gomes, Federico Herrera
Pubblicato in: Molecular Neurobiology, Numero 62, 2025, ISSN 0893-7648
Editore: Springer Science and Business Media LLC
DOI: 10.1007/S12035-025-05057-3

Cross-Interactions of Aβ Peptides Implicated in Alzheimer’s Disease Shape Amyloid Oligomer Structures and Aggregation

Autori: Tanja Habeck, Silvana Smilla Zurmühl, António J. Figueira, Edvaldo Vasconcelos Soares Maciel, Cláudio M. Gomes, Frederik Lermyte
Pubblicato in: ACS Chemical Neuroscience, Numero 15, 2024, ISSN 1948-7193
Editore: American Chemical Society (ACS)
DOI: 10.1021/ACSCHEMNEURO.4C00492

Intrinsic Bond Strength Index as a halogen bond interaction energy predictor

Autori: Ona Šivickytė; Paulo J. Costa
Pubblicato in: Physical Chemistry Chemical Physics, 2023, ISSN 1463-9084
Editore: Royal Society of Chemistry
DOI: 10.26434/chemrxiv-2022-c6npj

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

Autori: João G. N. Sequeira, Adrian E. Roitberg, Miguel Machuqueiro
Pubblicato in: Journal of Chemical Theory and Computation, Numero 21, 2025, ISSN 1549-9618
Editore: American Chemical Society (ACS)
DOI: 10.26434/CHEMRXIV-2025-38NFP

Folding and knotting of biotic and prebiotic amino acid sequences through reverse evolution

Autori: João N.C. Especial, Patrícia F.N. Faísca
Pubblicato in: Biophysical Journal, Numero 124, 2025, ISSN 0006-3495
Editore: Elsevier BV
DOI: 10.1101/2025.06.04.657801

Discrete Actuation of Water‐Responsive Crystalline Metal–Peptide Frameworks

Autori: 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
Pubblicato in: Angewandte Chemie International Edition, Numero 64, 2025, ISSN 1433-7851
Editore: Wiley
DOI: 10.1002/ANIE.202513629

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

Autori: Pedro M. P. Fernandes, Romina A. Guedes, Bruno L. Victor, Jorge A. R. Salvador, Rita C. Guedes
Pubblicato in: Frontiers in Chemistry, Numero 11, 2024, ISSN 2296-2646
Editore: Frontiers Media SA
DOI: 10.3389/FCHEM.2023.1322628

Is spastic ataxia 8 a protein misfolding disorder?

Autori: Pedro Ferreira-Peralta, Brenda França, Fernanda Murtinheira, Mario S. Rodrigues, Federico Herrera
Pubblicato in: Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease, Numero 1870, 2024, ISSN 0925-4439
Editore: 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

Autori: 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
Pubblicato in: Cellular Oncology, Numero 47, 2023, ISSN 2211-3428
Editore: 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

Autori: Inês Paccetti-Alves, Marta S. P. Batista, Catarina Pimpão, Bruno L. Victor, Graça Soveral
Pubblicato in: International Journal of Molecular Sciences, Numero 24, 2023, ISSN 1422-0067
Editore: MDPI AG
DOI: 10.3390/IJMS24066004

Other (7)

Identifying functional sites at scale

Autori: Cagiada, Matteo
Pubblicato in: 2023
DOI: 10.5281/zenodo.10409579

Proximity Labelling Assays to Detect Protein Interactions in Cells

Autori: Bar, Daniel
Pubblicato in: 2024
Editore: Zenodo
DOI: 10.5281/ZENODO.14046998

Shifting KRAS hotspot mutations inhibition paradigm in colorectal cancer

Autori: Ana Rita Brás; Ana Lopes; Nuno Mendes; Paulo J. Costa; Anabela Ferreira; Sara Granja; Ana Paula Silva; Francisco Tortosa; Fátima Baltazar; Fátima Gärtner; Maria João Sousa; Andreia Valente; Ana Preto
Pubblicato in: bioRxiv, 2023
Editore: bioRxiv
DOI: 10.1101/2023.08.09.552513

Computational tools to analyse protein stability and abundance

Autori: Schulze, Thea Klarsø
Pubblicato in: 2024
Editore: Zenodo
DOI: 10.5281/ZENODO.10783195

Understanding intrinsically disordered proteins: from integrative modelling to design

Autori: Pesce, Francesco
Pubblicato in: 2023
DOI: 10.5281/zenodo.10379566

Computational tools to analyse protein variant effects

Autori: Jonsson, Nicolas
Pubblicato in: 2024
Editore: Zenodo
DOI: 10.5281/ZENODO.10783189

Advanced Microscopy and Live Cell Imaging

Autori: Lisby, Michael
Pubblicato in: 2024
Editore: Zenodo
DOI: 10.5281/ZENODO.14046016

Thesis and dissertations (3)

Investigation of S100 proteins and their role in huntingtin aggregation

Autori: Marta Sofia Silva da Cruz Botelho
Pubblicato in: ULisboa Repository, 2023
Editore: Author Edition

The role of post-translational modifications on NKX6-2 behavior and function

Autori: Brenda Gabriella França
Pubblicato in: NOVA University Repository, 2023
Editore: Author Edition

Sea urchin inspired adhesive proteins - expression and purification of Nectin structural domains

Autori: Mariana Rodrigues dos Santos
Pubblicato in: ULisboa Repository, 2023
Editore: Author Edition