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

Información del proyecto

TWIN2PIPSA

Identificador del acuerdo de subvención: 101079147

DOI

10.3030/101079147

Proyecto cerrado

Fecha de la firma de la CE 4 Julio 2022

Fecha de inicio 1 Octubre 2022

Fecha de finalización 31 Marzo 2026

Financiado con arreglo a

• Widening participation and spreading excellence

Coste total

€ 1 228 957,00

Aportación de la UE

€ 1 228 957,00

Coordinado por

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

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

Data Management Plan (1)

Data management plan

Websites, patent fillings, videos etc. (1)

Project website and digital platform structure

Publicaciones

Peer reviewed articles (44)

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

Autores: Nuno F.B. Oliveira, Alexey S. Ladokhin, Miguel Machuqueiro
Publicado en: Biophysical Journal, Edición 123, 2024, ISSN 0006-3495
Editor: Elsevier BV
DOI: 10.1016/J.BPJ.2024.08.023

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

Autores: 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
Publicado en: ACS Materials Letters, Edición 6, 2024, ISSN 2639-4979
Editor: American Chemical Society (ACS)
DOI: 10.34961/RESEARCHREPOSITORY-UL.26561434

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

Autores: Pedro M. P. Fernandes; Romina A. Guedes; Bruno L. Victor; Jorge A. R. Salvador; Rita C. Guedes
Publicado en: Frontiers in Chemistry, Edición 11-2023, 2024, ISSN 2296-2646
Editor: Frontiers Media
DOI: 10.3389/fchem.2023.1322628

Cyclic Peptides as Aggregation Inhibitors for Sickle Cell Disease

Autores: Vasco Neto; Bruno Lourenço Victor; Nuno Galamba
Publicado en: Journal of Medicinal Chemistry, 2023, ISSN 0022-2623
Editor: American Chemical Society
DOI: 10.26434/chemrxiv-2023-qrzl0

S100B chaperone multimers suppress the formation of oligomers during Aβ42 aggregation

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

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

Autores: Daniela P. Freitas, Joana Saavedra, Isabel Cardoso, Cláudio M. Gomes
Publicado en: International Journal of Molecular Sciences, Edición 25, 2024, ISSN 1422-0067
Editor: MDPI AG
DOI: 10.3390/IJMS25189946

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

Autores: André M.M. Gomes, Paulo J. Costa, Miguel Machuqueiro
Publicado en: BBA Advances, Edición 4, 2023, ISSN 2667-1603
Editor: Elsevier BV
DOI: 10.1016/J.BBADVA.2023.100099

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

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

S100B chaperone multimers suppress the formation of oligomers during Aβ42 aggregation

Autores: António J. Figueira, Joana Saavedra, Isabel Cardoso, Cláudio M. Gomes
Publicado en: Frontiers in Neuroscience, Edición 17, 2023, ISSN 1662-453X
Editor: Frontiers Media SA
DOI: 10.3389/FNINS.2023.1162741

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

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

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

Autores: 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
Publicado en: ACS Medicinal Chemistry Letters, Edición 14, 2023, ISSN 1948-5875
Editor: American Chemical Society (ACS)
DOI: 10.1021/ACSMEDCHEMLETT.3C00313

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

Autores: Margarida C. Simões, Joana S. Cristóvão, Els Pardon, Jan Steyaert, Günter Fritz, Cláudio M. Gomes
Publicado en: Journal of Biological Chemistry, Edición 300, 2024, ISSN 0021-9258
Editor: Elsevier BV
DOI: 10.1016/J.JBC.2024.107983

Molecular Engineering of Ordered Piezoelectric Sulfonic Acid‐Containing Assemblies

Autores: 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
Publicado en: Small, Edición 20, 2023, ISSN 1613-6810
Editor: Wiley
DOI: 10.1002/SMLL.202309493

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

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

Intrinsic bond strength index as a halogen bond interaction energy predictor

Autores: Ona Šivickytė, Paulo J. Costa
Publicado en: Physical Chemistry Chemical Physics, Edición 25, 2023, ISSN 1463-9076
Editor: 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?

Autores: Sara G. F. Ferreira, Manoj K. Sriramoju, Shang-Te Danny Hsu, Patrícia F. N. Faísca, Miguel Machuqueiro
Publicado en: Journal of Chemical Information and Modeling, Edición 64, 2024, ISSN 1549-9596
Editor: 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

Autores: 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
Publicado en: Journal of Biological Chemistry, Edición 300, 2024, ISSN 0021-9258
Editor: 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

Autores: Ana P. Carapeto, Carlos Marcuello, Patrícia F. N. Faísca, Mário S. Rodrigues
Publicado en: Biomolecules, Edición 14, 2024, ISSN 2218-273X
Editor: MDPI AG
DOI: 10.3390/BIOM14091091

Role of topology in protein thermal stability

Autores: João N. C. Especial, Beatriz P. Teixeira, Ana Nunes, Miguel Machuqueiro, Patrícia F. N. Faísca
Publicado en: Physical Review Research, Edición 8, 2026, ISSN 2643-1564
Editor: 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

Autores: 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
Publicado en: Archives of Biochemistry and Biophysics, Edición 772, 2025, ISSN 0003-9861
Editor: Elsevier BV
DOI: 10.1016/J.ABB.2025.110569

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

Autores: Inês Paccetti-Alves; Marta S. P. Batista; Catarina Pimpão; Bruno L. Victor; Graça Soveral
Publicado en: International Journal of Molecular Sciences; Volume 24; Edición 6; Pages: 6004, 2023, ISSN 1422-0067
Editor: MDPI
DOI: 10.3390/ijms24066004

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

Autores: 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
Publicado en: ACS Medicinal Chemistry Letters, 2023, ISSN 1948-5875
Editor: American Chemical Society
DOI: 10.1021/acsmedchemlett.3c00313

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

Autores: João P. Pais, Olha Antoniuk, David Pires, Tiago Delgado, Andreia Fortuna, Paulo J. Costa, Elsa Anes, Luis Constantino
Publicado en: Pharmaceuticals, Edición 17, 2024, ISSN 1424-8247
Editor: MDPI AG
DOI: 10.3390/PH17050608

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

Autores: Lucy Martin, Daniela P. Freitas, Emmanuelle Boll, Alain Brans, Justine Mortelecque, François-Xavier Cantrelle, Pierre Dourlen, Cláudio M. Gomes, Clément Danis, Isabelle Landrieu
Publicado en: Biochemistry, Edición 64, 2025, ISSN 0006-2960
Editor: 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

Autores: 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
Publicado en: Cellular Oncology, 2023, ISSN 2211-3436
Editor: Springer Nature
DOI: 10.21203/rs.3.rs-3188959/v1

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

Autores: Andreia Fortuna; Paulo J. Costa
Publicado en: Journal of Chemical Information and Modeling, 2023, ISSN 1549-9596
Editor: ACS Publications
DOI: 10.26434/chemrxiv-2023-sgbfb

Cyclic Peptides as Aggregation Inhibitors for Sickle Cell Disease

Autores: Vasco Neto, Bruno Lourenço Victor, Nuno Galamba
Publicado en: Journal of Medicinal Chemistry, Edición 66, 2023, ISSN 0022-2623
Editor: American Chemical Society (ACS)
DOI: 10.26434/CHEMRXIV-2023-QRZL0

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

Autores: Andreia Fortuna, Paulo J. Costa
Publicado en: Journal of Chemical Information and Modeling, Edición 63, 2023, ISSN 1549-9596
Editor: American Chemical Society (ACS)
DOI: 10.26434/CHEMRXIV-2023-SGBFB

Amyloid-like Structures in Marine Adhesive Proteins

Autores: Mariana Rodrigues Santos, Bárbara Joana Henriques, Romana Santos
Publicado en: Marine Drugs, Edición 23, 2025, ISSN 1660-3397
Editor: MDPI AG
DOI: 10.3390/MD23090363

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

Autores: Romina Coelho, Chiara A. De Benedictis, Ann Katrin Sauer, António J. Figueira, Hélio Faustino, Andreas M. Grabrucker, Cláudio M. Gomes
Publicado en: International Journal of Molecular Sciences, Edición 25, 2024, ISSN 1422-0067
Editor: MDPI AG
DOI: 10.3390/IJMS25031787

Is spastic ataxia 8 a protein misfolding disorder?

Autores: Pedro Ferreira-Peralta; Brenda França; Fernanda Murtinheira; Mario S. Rodrigues; Federico Herrera
Publicado en: Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease, 2023, ISSN 0925-4439
Editor: 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

Autores: André M.M. Gomes; Paulo J. Costa; Miguel Machuqueiro
Publicado en: BBA Advances, 2023, ISSN 2667-1603
Editor: 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

Autores: Andreia Fortuna; Pedro M. S. Suzano; Miguel Machuqueiro; Paulo J. Costa
Publicado en: Journal of Computational Biophysics and Chemistry, Edición 04, 2024, ISSN 2737-4165
Editor: World Scientific Publishing
DOI: 10.1142/S2737416523500722

Journal of Biological Chemistry

Autores: 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.
Publicado en: Journal of Biological Chemistry, Edición 4, 2024, ISSN 0021-9258
Editor: 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

Autores: Ana Sofia Boasinha, Fernanda Murtinheira, Susana Solá, Cláudio M. Gomes, Federico Herrera
Publicado en: Molecular Neurobiology, Edición 62, 2025, ISSN 0893-7648
Editor: 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

Autores: Tanja Habeck, Silvana Smilla Zurmühl, António J. Figueira, Edvaldo Vasconcelos Soares Maciel, Cláudio M. Gomes, Frederik Lermyte
Publicado en: ACS Chemical Neuroscience, Edición 15, 2024, ISSN 1948-7193
Editor: American Chemical Society (ACS)
DOI: 10.1021/ACSCHEMNEURO.4C00492

Intrinsic Bond Strength Index as a halogen bond interaction energy predictor

Autores: Ona Šivickytė; Paulo J. Costa
Publicado en: Physical Chemistry Chemical Physics, 2023, ISSN 1463-9084
Editor: Royal Society of Chemistry
DOI: 10.26434/chemrxiv-2022-c6npj

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

Autores: João G. N. Sequeira, Adrian E. Roitberg, Miguel Machuqueiro
Publicado en: Journal of Chemical Theory and Computation, Edición 21, 2025, ISSN 1549-9618
Editor: American Chemical Society (ACS)
DOI: 10.26434/CHEMRXIV-2025-38NFP

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

Autores: João N.C. Especial, Patrícia F.N. Faísca
Publicado en: Biophysical Journal, Edición 124, 2025, ISSN 0006-3495
Editor: Elsevier BV
DOI: 10.1101/2025.06.04.657801

Discrete Actuation of Water‐Responsive Crystalline Metal–Peptide Frameworks

Autores: 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
Publicado en: Angewandte Chemie International Edition, Edición 64, 2025, ISSN 1433-7851
Editor: Wiley
DOI: 10.1002/ANIE.202513629

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

Autores: Pedro M. P. Fernandes, Romina A. Guedes, Bruno L. Victor, Jorge A. R. Salvador, Rita C. Guedes
Publicado en: Frontiers in Chemistry, Edición 11, 2024, ISSN 2296-2646
Editor: Frontiers Media SA
DOI: 10.3389/FCHEM.2023.1322628

Is spastic ataxia 8 a protein misfolding disorder?

Autores: Pedro Ferreira-Peralta, Brenda França, Fernanda Murtinheira, Mario S. Rodrigues, Federico Herrera
Publicado en: Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease, Edición 1870, 2024, ISSN 0925-4439
Editor: 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

Autores: 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
Publicado en: Cellular Oncology, Edición 47, 2023, ISSN 2211-3428
Editor: 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

Autores: Inês Paccetti-Alves, Marta S. P. Batista, Catarina Pimpão, Bruno L. Victor, Graça Soveral
Publicado en: International Journal of Molecular Sciences, Edición 24, 2023, ISSN 1422-0067
Editor: MDPI AG
DOI: 10.3390/IJMS24066004

Other (7)

Identifying functional sites at scale

Autores: Cagiada, Matteo
Publicado en: 2023
DOI: 10.5281/zenodo.10409579

Proximity Labelling Assays to Detect Protein Interactions in Cells

Autores: Bar, Daniel
Publicado en: 2024
Editor: Zenodo
DOI: 10.5281/ZENODO.14046998

Shifting KRAS hotspot mutations inhibition paradigm in colorectal cancer

Autores: 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
Publicado en: bioRxiv, 2023
Editor: bioRxiv
DOI: 10.1101/2023.08.09.552513

Computational tools to analyse protein stability and abundance

Autores: Schulze, Thea Klarsø
Publicado en: 2024
Editor: Zenodo
DOI: 10.5281/ZENODO.10783195

Understanding intrinsically disordered proteins: from integrative modelling to design

Autores: Pesce, Francesco
Publicado en: 2023
DOI: 10.5281/zenodo.10379566

Computational tools to analyse protein variant effects

Autores: Jonsson, Nicolas
Publicado en: 2024
Editor: Zenodo
DOI: 10.5281/ZENODO.10783189

Advanced Microscopy and Live Cell Imaging

Autores: Lisby, Michael
Publicado en: 2024
Editor: Zenodo
DOI: 10.5281/ZENODO.14046016

Thesis and dissertations (3)

Investigation of S100 proteins and their role in huntingtin aggregation

Autores: Marta Sofia Silva da Cruz Botelho
Publicado en: ULisboa Repository, 2023
Editor: Author Edition

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

Autores: Brenda Gabriella França
Publicado en: NOVA University Repository, 2023
Editor: Author Edition

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

Autores: Mariana Rodrigues dos Santos
Publicado en: ULisboa Repository, 2023
Editor: Author Edition