Membrane proteins – development of new computational approaches and its application to G-Protein Coupled Receptors

Project Information

MEMBRANEPROT

Grant agreement ID: 659826

DOI

10.3030/659826

Project closed

EC signature date 23 March 2015

Start date 1 March 2016

End date 28 February 2018

Funded under

• EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions

Total cost

€ 177 598,80

EU contribution

€ 177 598,80

Coordinated by

UNIVERSITEIT UTRECHT
Netherlands

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (7)

Performance of HADDOCK and a simple contact-based protein–ligand binding affinity predictor in the D3R Grand Challenge 2

Author(s): Zeynep Kurkcuoglu, Panagiotis I. Koukos, Nevia Citro, Mikael E. Trellet, J. P. G. L. M. Rodrigues, Irina S. Moreira, Jorge Roel-Touris, Adrien S. J. Melquiond, Cunliang Geng, Jörg Schaarschmidt, Li C. Xue, Anna Vangone, A. M. J. J. Bonvin
Published in: Journal of Computer-Aided Molecular Design, Issue 32/1, 2018, Page(s) 175-185, ISSN 0920-654X
Publisher: Kluwer Academic Publishers
DOI: 10.1007/s10822-017-0049-y

A Machine Learning Approach for Hot-Spot Detection at Protein-Protein Interfaces

Author(s): Rita Melo, Robert Fieldhouse, André Melo, João Correia, Maria Cordeiro, Zeynep Gümüş, Joaquim Costa, Alexandre Bonvin, Irina Moreira
Published in: International Journal of Molecular Sciences, Issue 17/8, 2016, Page(s) 1215, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms17081215

SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots

Author(s): Irina S. Moreira, Panagiotis I. Koukos, Rita Melo, Jose G. Almeida, Antonio J. Preto, Joerg Schaarschmidt, Mikael Trellet, Zeynep H. Gümüş, Joaquim Costa, Alexandre M. J. J. Bonvin
Published in: Scientific Reports, Issue 7/1, 2017, ISSN 2045-2322
Publisher: Nature Publishing Group
DOI: 10.1038/s41598-017-08321-2

Membrane proteins structures: A review on computational modeling tools

Author(s): Jose G. Almeida, Antonio J. Preto, Panagiotis I. Koukos, Alexandre M.J.J. Bonvin, Irina S. Moreira
Published in: Biochimica et Biophysica Acta (BBA) - Biomembranes, Issue 1859/10, 2017, Page(s) 2021-2039, ISSN 0005-2736
Publisher: Elsevier BV
DOI: 10.1016/j.bbamem.2017.07.008

Understanding the Differential Selectivity of Arrestins toward the Phosphorylation State of the Receptor

Author(s): Ozge Sensoy, Irina S. Moreira, Giulia Morra
Published in: ACS Chemical Neuroscience, Issue 7/9, 2016, Page(s) 1212-1224, ISSN 1948-7193
Publisher: American Chemical Society
DOI: 10.1021/acschemneuro.6b00073

In silico studies targeting G-protein coupled receptors for drug research against Parkinson’s disease

Author(s): Agostinho Lemos, Rita Meloc, Antonio J. Preto, Jose G. Almeida, Irina S. Moreira, M. Natalia D. S. Cordeiro
Published in: Current Neuropharmacology, Issue 16, 2018, ISSN 1570-159X
Publisher: Bentham Science Publishers
DOI: 10.2174/1570159X16666180308161642

Spoton: A Machine-Learning Approach for Hot-Spot Determination

Author(s): Irina S. Moreira, Panos Koukos, Rita Melo, Jose G. Almeida, Antonio J. Preto, Jorg Schaarschmidt, Mikael Trellet, Zeynep H. Gumus, Joaquim Costa, Alexandre M.J.J. Bonvin
Published in: Biophysical Journal, Issue 112/3, 2017, Page(s) 45a, ISSN 0006-3495
Publisher: Biophysical Society
DOI: 10.1016/j.bpj.2016.11.284

Conference proceedings (6)

Alpha-helical and beta-sheet membrane- membrane protein dimers: centralizing information

Author(s): Pedro Filipe, António Preto, Panos Koukos, Alexandre Bonvin, Irina Moreira
Published in: Proceedings of MOL2NET 2017, International Conference on Multidisciplinary Sciences, 3rd edition, 2018, Page(s) 5107
Publisher: MDPI
DOI: 10.3390/mol2net-03-05107

Co-evolution importance on binding Hot-Spot prediction methods

Author(s): Irina Moreira, José Almeida, António Preto, Rita Melo, Zeynep Gümüş, Joaquim Costa, Alexandre Bonvin
Published in: Proceedings of MOL2NET 2016, International Conference on Multidisciplinary Sciences, 2nd edition, 2017, Page(s) 3889
Publisher: MDPI
DOI: 10.3390/mol2net-02-03889

<strong>Creating a valid <em>in silico</em> Dopamine D2-receptor model for small molecular docking studies</strong>

Author(s): Beatriz Bueschbell, António Preto, Carlos Barreto, Anke Schiedel, Irina Moreira
Published in: Proceedings of MOL2NET 2017, International Conference on Multidisciplinary Sciences, 3rd edition, 2017, Page(s) 5088
Publisher: MDPI
DOI: 10.3390/mol2net-03-05088

Structural mechanism of HER2-antibodies complexes by molecular dynamics studies

Author(s): Rita Melo, Jose Almeida, Sandra Cabo Verde, Zeynep Gumus, I. Moreira, J. Correia
Published in: Proceedings of MOL2NET 2017, International Conference on Multidisciplinary Sciences, 3rd edition, 2017, Page(s) 5084
Publisher: MDPI
DOI: 10.3390/mol2net-03-05084

Using big-data to understand the protein interface landscape

Author(s): José Almeida, Alexandre Bonvin, Irina Moreira
Published in: Proceedings of MOL2NET 2017, International Conference on Multidisciplinary Sciences, 3rd edition, 2017, Page(s) 5087
Publisher: MDPI
DOI: 10.3390/mol2net-03-05087

<strong>Structural and dynamic understanding of the ghrelin receptor high constitutive activity </strong>

Author(s): Carlos Barreto, Miguel Machuqueiro, Alexandre Bonvin, Irina Moreira
Published in: Proceedings of MOL2NET 2017, International Conference on Multidisciplinary Sciences, 3rd edition, 2017, Page(s) 5089
Publisher: MDPI
DOI: 10.3390/mol2net-03-05089

Book chapters (1)

Computer-Aided Drug Design Approaches to Study Key Therapeutic Targets in Alzheimer’s Disease

Author(s): Agostinho Lemos, Rita Melo, Irina S. Moreira, M. Natália D. S. Cordeiro
Published in: Neuromethods, 2018, Page(s) 61-106
Publisher: Springer New York
DOI: 10.1007/978-1-4939-7404-7_3