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Results: 76

Arnau Call, Carla Casadevall, Adrian Romero-Rivera, Vlad Martin-Diaconescu, Dayn J. Sommer, Sílvia Osuna, Giovanna Ghirlanda, Julio Lloret-Fillol
Improved Electro- and Photocatalytic Water Reduction by Confined Cobalt Catalysts in Streptavidin
ACS Catal., 2019, [], 5837-5846
DOI: 10.1021/acscatal.8b04981
Keywords: Catalysis, Computational chemistry, Enzyme design, Photocatalysis, Sustainable Catalysis

Christian Curado-Carballada, Ferran Feixas, Sílvia Osuna
Molecular Dynamics Simulations onAspergillus niger Monoamine Oxidase: Conformational Dynamics and Inter‐monomer Communication Essential for Its Efficient Catalysis
Adv. Synth. Catal., 2019, 361, 2718-2726
DOI: 10.1002/adsc.201900158
Keywords: Catalysis, Computational chemistry, Enzyme design

Christian Curado-Carballada, Ferran Feixas, Javier Iglesias-Fernández, Sílvia Osuna
Hidden Conformations inAspergillus niger Monoamine Oxidase are Key for Catalytic Efficiency
Angew. Chem. Int. Ed., 2019, 58, 3097-3101
DOI: 10.1002/anie.201812532
Keywords: Catalysis, Computational chemistry, Confined space, Enzyme design

Olesya Semivrazhskaya, Adrian Romero-Rivera, Safwan Aroua, Sergey I. Troyanov, Marc Garcia-Borràs, Steven Stevenson, Sílvia Osuna, Yoko Yamakoshi
Structures of Gd3 N@C80 Prato Bis-Adducts: Crystal Structure, Thermal Isomerization, and Computational Study
J. Am. Chem. Soc., 2019, 141, 10988-10993
DOI: 10.1021/jacs.9b05603
Keywords: Cycloaddition, Density Functional Theory, Fullerenes

Miguel A. Maria-Solano, Javier Iglesias-Fernández, Sílvia Osuna
Deciphering the Allosterically Driven Conformational Ensemble in Tryptophan Synthase Evolution
J. Am. Chem. Soc., 2019, 141, 13049-13056
DOI: 10.1021/jacs.9b03646
Keywords: Catalysis, Computational chemistry, Enzyme design

Xi Chen, Hongliu Zhang, Miguel A. Maria-Solano, Weidong Liu, Juan Li, Jinhui Feng, Xiangtao Liu, Sílvia Osuna, Rey-Ting Guo, Qiaqing Wu, Dunming Zhu, Yanhe Ma
Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase
Nat Catal, 2019, 2, 931-941
DOI: 10.1038/s41929-019-0347-y
Keywords: Catalysis, Computational chemistry, Enzyme design

Xavier Arqué, Adrian Romero-Rivera, Ferran Feixas, Tania Patiño, Sílvia Osuna, Samuel Sánchez
Intrinsic enzymatic properties modulate the self-propulsion of micromotors
Nat Commun, 2019, 10, 2826
DOI: 10.1038/s41467-019-10726-8
Keywords: Catalysis, Enzyme design

Antonia Tomás-Loba, Elisa Manieri, Bárbara González-Terán, Alfonso Mora, Luis Leiva-Vega, Ayelén M. Santamans, Rafael Romero-Becerra, Elena Rodríguez, Aránzazu Pintor-Chocano, Ferran Feixas, Juan Antonio López, Beatriz Caballero, Marianna Trakala, Óscar Blanco, Jorge L. Torres, Lourdes Hernández-Cosido, Valle Montalvo-Romeral, Nuria Matesanz, Marta Roche-Molina, Juan Antonio Bernal, Hannah Mischo, Marta León, Ainoa Caballero, Diego Miranda-Saavedra, Jesús Ruiz-Cabello, Yulia A. Nevzorova, Francisco Javier Cubero, Jerónimo Bravo, Jesús Vázquez, Marcos Malumbres, Miguel Marcos, Sílvia Osuna & Guadalupe Sabio
p38γ is essential for cell cycle progression and liver tumorigenesis
Nature, 2019, 568, 557-560
DOI: 10.1038/s41586-019-1112-8

Korinne Liosi, Adrian Romero-Rivera, Olesya Semivrazhskaya, Caravaggio D. Caniglia, Marc Garcia-Borràs, Nils Trapp, Sílvia Osuna, Yoko Yamakoshi
Site-Selectivity of Prato Additions to C70 : Experimental and Theoretical Studies of a New Thermodynamic Product at thedd -[5,6]-Junction
Org. Lett., 2019, 21, 5162-5166
DOI: 10.1021/acs.orglett.9b01756
Keywords: Cycloaddition, Density Functional Theory, Fullerenes

Javier López-Andarias, Sara H. Mejías, Tsuneaki Sakurai, Wakana Matsuda, Shu Seki, Ferran Feixas, Sílvia Osuna, Carmen Atienza, Nazario Martín, Aitziber L. Cortajarena
Toward Bioelectronic Nanomaterials: Photoconductivity in Protein–Porphyrin Hybrids Wrapped around SWCNT
Adv. Funct. Mater., 2018, 28, 1704031
DOI: 10.1002/adfm.201704031
Keywords: Computational chemistry, Fullerenes

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