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# – shared contribution, * – corresponding author.

Research on Covid-19:

Insights on cross-species transmission of SARS-CoV-2 from structural modeling

João PGLM Rodrigues, Susana Barrera-Vilarmau#, João MC Teixeira#, Elizabeth Seckel, Panagiotis L Kastritis, Michael Levitt (# contributed equally). PLoS Computational Biology, 16(12), e1008449, 2020. DOI: 10.1371/journal.pcbi.1008449

Structural models of human ACE2 variants with SARS-CoV-2 Spike protein for structure-based drug design

Marija Sorokina, João MC Teixeira, Susana Barrera-Vilarmau, Reinhard Paschke, Ioannis Papasotiriou, João PGLM Rodrigues, Panagiotis L Kastritis. Scientific Data, 2020, 7-1, article 309. DOI: 10.1038/s41597-020-00652-6

Leadership Highlights:

Farseer-NMR: automatic treatment, analysis and plotting of large, multi-variable NMR data.

Teixeira JMC*, Skinner SP, Arbesú M, Breeze AL, Pons M. Journal of biomolecular NMR, 2018, volume 71, issue 1, pp. 1-9. 10.1007/s10858-018-0182-5.

The Two Isoforms of Lyn Display Different Intramolecular Fuzzy Complexes with the SH3 Domain

João M. C. Teixeira, Héctor Fuentes, Stasė Bielskutė, Margarida Gairi, Szymon Żerko, Wiktor Koźmiński, Miquel Pons. Molecules 2018, 23(11), 2731. doi.org/10.3390/molecules23112731

Examination of matrix metalloproteinase-1 (MMP-1) in solution: a preference for the pre-collagenolysis state.

Linda Cerofolini#, Gregg B. Fields, Marco Fragai, Carlos F.G.C. Geraldes, Claudio Luchinat, Giacomo Parigi, Enrico Ravera, Dmitri I. Svergun, João M.C. Teixeira#. Journal of Biomolecular Chemistry, 2013, 288, 42, 30659-71. doi: 10.1074/jbc.M113.477240

Complete list (chronologically):

2020

Insights on cross-species transmission of SARS-CoV-2 from structural modeling

João PGLM Rodrigues, Susana Barrera-Vilarmau#, João MC Teixeira#, Elizabeth Seckel, Panagiotis L Kastritis, Michael Levitt (# contributed equally). PLoS Computational Biology, 16(12), e1008449, 2020. DOI: 10.1371/journal.pcbi.1008449

A methionine chemical shift based order parameter characterizing global protein dynamics

Saeed Chashmniam#, João MC Teixeira#, Juan C. Paniagua, Miquel Pons. ChemBioChem, 2020. DOI: 10.1002/cbic.202000701

PDB-Tools Web: A user-friendly interface for the manipulation of PDB files

Preprinted upon submission to: Authorea. August 05, 2020. Pre-print submitted to Submitted to PROTEINS: Structure, Function, and Bioinformatics. DOI: 10.22541/au.159662521.16200914

Structural models of human ACE2 variants with SARS-CoV-2 Spike protein for structure-based drug design

Marija Sorokina, João MC Teixeira, Susana Barrera-Vilarmau, Reinhard Paschke, Ioannis Papasotiriou, João PGLM Rodrigues, Panagiotis L Kastritis. Scientific Data, 2020, 7-1, article 309. DOI: 10.1038/s41597-020-00652-6

Insights on cross-species transmission of SARS-CoV-2 from structural modeling

João PGLM Rodrigues, Susana Barrera-Vilarmau#, João MC Teixeira#, Elizabeth Seckel, Panagiotis L Kastritis, Michael Levitt (# contributed equally). bioRxiv, 2020. DOI: 10.1101/2020.06.05.136861

taurenmd: A command-line interface for analysis of Molecular Dynamics simulations.

João M.C. Teixeira*. Journal of Open Source Software 5 (50), 2175. DOI: 10.21105/joss.02175

Extended experimental inferential structure determination method in determining the structural ensembles of disordered protein states.

James Lincoff, Mojtaba Haghighatlari, Mickael Krzeminski, João MC Teixeira, Gregory-Neal W Gomes, Claudiu C Gradinaru, Julie D Forman-Kay, Teresa Head-Gordon. Communications Chemistry, 2020, volume 3 article number 74, pg. 1-12. DOI:10.1038/s42004-020-0323-0

2019

Extended Experimental Inferential Structure Determination Method for Evaluating the Structural Ensembles of Disordered Protein States.

James Lincoff, Mickael Krzeminski, Mojtaba Haghighatlari, João M.C. Teixeira, Gregory-Neal W Gomes, Claudiu C Gradinaru, Julie D Forman-Kay, Teresa Head-Gordon. arXiv preprint arXiv:1912.12582.

Cis-trans proline isomers in the catalytic domain of calcineurin.

João MC Teixeira#, Alicia Guasch#, Atilla Biçer, Álvaro Aranguren-Ibáñez, Saeed Chashmniam, Juan Carlos Paniagua, Mercè Pérez-Riba, Ignacio Fita, Miquel Pons. The FEBS Journal, 2019, volume 286, issue 6, pg. 1230-1239. DOI:10.1111/febs.14721

A myristoyl binding site in the SH3 domain modulates c-Src membrane anchoring.

Anabel Lise Le Roux, Irrem-Laareb Mohammad, Borja Mateos, Miguel Arbesú, Margarida Gairí, Farman Ali Khan, João M.C. Teixeira, Miquel Pons. iScience, 2019, 22;12:194-203. doi: 10.1016/j.isci.2019.01.010

2018

pdb-tools: a swiss army knife for molecular structures.

João P.G.L.M. Rodrigues, João M.C. Teixeira, Mikaël Trellet, Alexandre M.J.J. Bonvin. F1000Research, 2018, 7: 1961, [version 1; referees: 2 approved]. doi.org/10.12688/f1000research.17456.1

pdb-tools: a swiss army knife for molecular structures

João P.G.L.M. Rodrigues, João M.C. Teixeira, Mikaël Trellet, Alexandre M.J.J. Bonvin. bioRxiv, 2018. pre-print. doi.org/10.1101/483305

The Two Isoforms of Lyn Display Different Intramolecular Fuzzy Complexes with the SH3 Domain

João M. C. Teixeira, Héctor Fuentes, Stasė Bielskutė, Margarida Gairi, Szymon Żerko, Wiktor Koźmiński, Miquel Pons. Molecules 2018, 23(11), 2731. doi.org/10.3390/molecules23112731

Farseer-NMR: automatic treatment, analysis and plotting of large, multi-variable NMR data.

Teixeira JMC*, Skinner SP, Arbesú M, Breeze AL, Pons M. (*corresponding author) Journal of biomolecular NMR, 2018, volume 71, issue 1, pp. 1-9. 10.1007/s10858-018-0182-5.

Intramolecular Fuzzy Interactions Involving Intrinsically Disordered Domains.

Arbesú M, Iruela G, Fuentes H, Teixeira JMC, Pons M. Frontiers in molecular biosciences, 2018, volume 5, article 39. 10.3389/fmolb.2018.00039

2017

The Unique Domain Forms a Fuzzy Intramolecular complex in Src Family Kinases

Miguel Arbesú, Mariano Maffei, Tiago Cordeiro, João M.C. Teixeira, Yolanda Pérez, Pau Bernadó, Serge Roche, Miquel Pons. Structure, 2017, 25 – 4, pp. 630–640. doi.org/10.1016/j.str.2017.02.011

2016

An oxygen-sensitive toxin-antitoxin system.

Oriol Marimon, João M.C. Teixeira, Tiago N. Cordeiro, Valerie W.C. Soo, Thammajun L. Wood, Maxim Mayzel, Irene Amata, Jesús García, Ainara Morera, Marina Gay, Marta Vilaseca, Vladislav Yu. Orekhov, Thomas K. Wood, and Miquel Pons. Nature Communications, 2016, 7, 13634. doi.org/10.1038/ncomms13634

A C2HC zinc finger is essential for the RING-E2 interaction of the ubiquitin ligase RNF125.

Marie-José Bijlmakers, João M. C. Teixeira, Roeland Boer, Maxim Mayzel, Pilar Puig-Sàrries, Göran Karlsson, Miquel Coll, Miquel Pons, Bernat Crosas. Scientific Reports, 2016, 6: 29232. doi: 10.1038/srep29232 (2016)

2014

A bis(pyridine N-oxide) analogue of DOTA: Relaxometric properties of the GdIII complex and efficient sensitization of visible and NIR-emitting Ln(III) cations including PrIII and HoIII.

André F. Martins, Svetlana V. Eliseeva, Henrique F. Carvalho, João M.C. Teixeira, Carlos T.B. Paula, Petr Hermann, Carlos Platas-Iglesias, Stephane Petoud, Éva Tóth, Carlos F.G.C. Geraldes. Chemistry: An European Journal, 2014, 20, 45, 14834-45. doi.org/10.1002/chem.201403856

2013

Matrix Metalloproteinases: proteins in action.

pNMR news, Paramagnetic NMR Newsletters 1 of the FP7-PEOPLE-2012-ITN “PNMR”. www.pnmr.eu. Research Highlight.

Examination of matrix metalloproteinase-1 (MMP-1) in solution: a preference for the pre-collagenolysis state.

Linda Cerofolini#, Gregg B. Fields, Marco Fragai, Carlos F.G.C. Geraldes, Claudio Luchinat, Giacomo Parigi, Enrico Ravera, Dmitri I. Svergun, João M.C. Teixeira#. Journal of Biomolecular Chemistry, 2013, 288, 42, 30659-71. doi: 10.1074/jbc.M113.477240

2011

The catalytic domain of MMP-1 studied through tagged lanthanides.

Ivano Bertini, Vito Calderone, Linda Cerofolini, Marco Fragai, Carlos F.G.C. Geraldes, Petr Herman, Claudio Luchinat, Giacomo Parigi, João M.C. Teixeira. FEBS Letters, 2011, 586, 557-567. doi.org/10.1016/j.febslet.2011.09.020

Enantioselective binding of a lanthanide(III) complex to human serum albumin studied by 1H STD NMR techniques.

David M. Dias, João M.C. Teixeira, Ilya Kuprov, Elizabeth J. New, David Parker, Carlos F.G.C. Geraldes. Organic Biomolecular Chemistry, 2011, 9, 14, 5047-50. doi: 10.1039/c1ob05524k

The interaction of La3+ complexes of DOTA/DTPA glycoconjugates with the RCA120 lectin: a saturation transfer difference NMR spectroscopic study.

João M.C. Teixeira, David M. Dias, F. Javier Cañada, José A. Martins, João P. André, Jesús Jiménez-Barbero, Carlos F.G.C. Geraldes. Journal of Biological Inorganic Chemistry, 2011, 16, 725-734. doi.org/10.1007/s00775-011-0773-z