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Hansen AL, Theisen FF, Crehuet R, et al. (2024) Carving out a Glycoside Hydrolase Active Site for Incorporation into a New Protein Scaffold Using Deep Network Hallucination. Acs Synthetic Biology
Dou J, Vorobieva AA, Sheffler W, et al. (2018) De novo design of a fluorescence-activating β-barrel. Nature
Marcos E, Basanta B, Chidyausiku TM, et al. (2017) Principles for designing proteins with cavities formed by curved β sheets. Science (New York, N.Y.). 355: 201-206
Torrent-Sucarrat M, Navarro S, Marcos E, et al. (2017) Design of Hückel–Möbius Topological Switches with High Nonlinear Optical Properties The Journal of Physical Chemistry C. 121: 19348-19357
Marcos E, Anglada JM, Torrent-Sucarrat M. (2014) Effect of the meso-substituent in the Hückel-to-Möbius topological switches. The Journal of Organic Chemistry. 79: 5036-46
Sanchez-Martinez M, Marcos E, Tauler R, et al. (2013) Conformational compression and barrier height heterogeneity in the N-acetylglutamate kinase. The Journal of Physical Chemistry. B. 117: 14261-72
Marcos E, Jiménez A, Crehuet R. (2012) Dynamic Fingerprints of Protein Thermostability Revealed by Long Molecular Dynamics. Journal of Chemical Theory and Computation. 8: 1129-42
Marcos E, Anglada JM, Torrent-Sucarrat M. (2012) Theoretical Study of the Switching between Hückel and Möbius Topologies for Expanded Porphyrins The Journal of Physical Chemistry C. 116: 24358-24366
Marcos E, Mestres P, Crehuet R. (2011) Crowding induces differences in the diffusion of thermophilic and mesophilic proteins: a new look at neutron scattering results. Biophysical Journal. 101: 2782-9
Marcos E, Crehuet R, Bahar I. (2011) Changes in dynamics upon oligomerization regulate substrate binding and allostery in amino acid kinase family members. Plos Computational Biology. 7: e1002201
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