Chemistry
Listando 31 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
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Article
Enzyme Conformation Influences the Performance of Lipase-powered Nanomotors
Wang, Lei; Marciello, Marzia; Estevez-Gay, Miquel; Soto Rodriguez, Paul E. D.; Luengo Morato, Yurena; Iglesias-Fernandez, Javier; Huang, Xin; Osuna, Silvia; Filice, Marco; Sanchez, Samuel
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
1433-7851 (2020)
DOI /
10.1002/anie.202008339
Mentions
48
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0
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0
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Article
In Vivo Selection for Formate Dehydrogenases with High Efficiency and Specificity toward NADP(+)
Calzadiaz-Ramirez, Liliana; Calvo-Tusell, Carla; Stoffel, Gabriele M. M.; Lindner, Steffen N.; Osuna, Silvia; Erb, Tobias J.; Garcia-Borras, Marc; Bar-Even, Arren; Acevedo-Rocha, Carlos G.
ACS CATALYSIS
2155-5435 (2020)
DOI /
10.1021/acscatal.0c01487
Green published, Hybrid
Mentions
14
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Review
Computational tools for the evaluation of laboratory-engineered biocatalysts
Romero-Rivera, Adrian; Garcia-Borras, Marc; Osuna, Silvia
CHEMICAL COMMUNICATIONS
1359-7345 (2017)
DOI /
10.1039/c6cc06055b
Green submitted, Green published, Hybrid
Mentions
16
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0
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1
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Article
Hidden Conformations in Aspergillus niger Monoamine Oxidase are Key for Catalytic Efficiency
Curado-Carballada, Christian; Feixas, Ferran; Iglesias-Fernandez, Javier; Osuna, Silvia
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
1433-7851 (2019)
DOI /
10.1002/anie.201812532
Mentions
36
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Article
Role of Conformational Dynamics in the Evolution of Retro-Aldolase Activity
Romero-Rivera, Adrian; Garcia-Borras, Marc; Osuna, Silvia
ACS CATALYSIS
2155-5435 (2017)
DOI /
10.1021/acscatal.7b02954
Green published, Hybrid
Mentions
7
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0
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1
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Article
Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase
Chen, Xi; Zhang, Hongliu; Maria-Solano, Miguel A.; Liu, Weidong; Li, Juan; Feng, Jinhui; Liu, Xiangtao; Osuna, Silvia; Guo, Rey-Ting; Wu, Qiaqing; Zhu, Dunming; Ma, Yanhe
NATURE CATALYSIS
2520-1158 (2019)
DOI /
10.1038/s41929-019-0347-y
Mentions
26
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Article
Intrinsic enzymatic properties modulate the self-propulsion of micromotors
Arque, Xavier; Romero-Rivera, Adrian; Feixas, Ferran; Patino, Tania; Osuna, Silvia; Sanchez, Samuel
NATURE COMMUNICATIONS
(2019)
DOI /
10.1038/s41467-019-10726-8
Green published, Gold
Mentions
32
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0
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Article
SBMOpenMM: A Builder of Structure-Based Models for OpenMM
Floor, Martin; Li, Kengjie; Estevez-Gay, Miquel; Agullo, Luis; Marc Munoz-Torres, Pau; Hwang, Jenn K.; Osuna, Silvia; Villa-Freixa, Jordi
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2021)
DOI /
10.1021/acs.jcim.1c00122
Mentions
27
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Article
Exploring the reversal of enantioselectivity
Maria-Solano, Miguel A.; Romero-Rivera, Adrian; Osuna, Slvia
ORGANIC & BIOMOLECULAR CHEMISTRY
1477-0520 (2017)
DOI /
10.1039/c7ob00482f
Green published, Hybrid, Green submitted
Mentions
6
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0
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Article
Deciphering the Allosterically Driven Conformational Ensemble in Tryptophan Synthase Evolution
Maria-Solano, Miguel A.; Iglesias-Fernandez, Javier; Osuna, Silvia
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
0002-7863 (2019)
DOI /
10.1021/jacs.9b03646
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4
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Article
Molecular Dynamics Simulations on Aspergillus niger Monoamine Oxidase: Conformational Dynamics and Inter-monomer Communication Essential for Its Efficient Catalysis
Curado-Carballada, Christian; Feixas, Ferran; Osuna, Silvia
ADVANCED SYNTHESIS & CATALYSIS
1615-4150 (2019)
DOI /
10.1002/adsc.201900158
Bronze
Mentions
15
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Article
Regio- and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants
Li, Aitao; Acevedo-Rocha, Carlos G.; D'Amore, Lorenzo; Chen, Jinfeng; Peng, Yaqin; Garcia-Borras, Marc; Gao, Chenghua; Zhu, Jinmei; Rickerby, Harry; Osuna, Silvia; Zhou, Jiahai; Reetz, Manfred T.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
1433-7851 (2020)
DOI /
10.1002/anie.202003139
Green published, Hybrid
Mentions
20
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0
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0
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Article
Exploring the origins of selectivity in soluble epoxide hydrolase from Bacillus megaterium
Serrano-Hervas, Eila; Garcia-Borras, Marc; Osuna, Silvia
ORGANIC & BIOMOLECULAR CHEMISTRY
1477-0520 (2017)
DOI /
10.1039/c7ob01847a
Green published, Green submitted, Hybrid
Mentions
18
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0
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0
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Article
Improved Electro- and Photocatalytic Water Reduction by Confined Cobalt Catalysts in Streptavidin
Call, Arnau; Casadevall, Carla; Romero-Rivera, Adrian; Martin-Diaconescu, Vlad; Sommer, Dayn J.; Osuna, Silvia; Ghirlanda, Giovanna; Lloret-Fillol, Julio
ACS CATALYSIS
2155-5435 (2019)
DOI /
10.1021/acscatal.8b04981
Hybrid, Green accepted
Mentions
12
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0
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0
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Review
The challenge of predicting distal active site mutations in computational enzyme design
Osuna, Silvia
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
1759-0876 (2020)
DOI /
10.1002/wcms.1502
Mentions
10
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0
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0
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Article
Inducing high activity of a thermophilic enzyme at ambient temperatures by directed evolution
Li, Guangyue; Maria-Solano, Miguel A.; Romero-Rivera, Adrian; Osuna, Silvia; Reetz, Manfred T.
CHEMICAL COMMUNICATIONS
1359-7345 (2017)
DOI /
10.1039/c7cc05377k
Green submitted, Green published, Hybrid
Mentions
12
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0
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0
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Article
Epoxide Hydrolase Conformational Heterogeneity for the Resolution of Bulky Pharmacologically Relevant Epoxide Substrates
Serrano-Hervas, Eila; Casadevall, Guillem; Garcia-Borras, Marc; Feixas, Ferran; Osuna, Silvia
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2018)
DOI /
10.1002/chem.201801068
Green accepted
Mentions
8
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0
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Article
Toward Bioelectronic Nanomaterials: Photoconductivity in Protein-Porphyrin Hybrids Wrapped around SWCNT
Lopez-Andarias, Javier; Mejias, Sara H.; Sakurai, Tsuneaki; Matsuda, Wakana; Seki, Shu; Feixas, Ferran; Osuna, Silvia; Atienza, Carmen; Martin, Nazario; Cortajarena, Aitziber L.
ADVANCED FUNCTIONAL MATERIALS
1616-301X (2018)
DOI /
10.1002/adfm.201704031
Green submitted
Mentions
11
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0
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Article
Protein-directed crystalline 2D fullerene assemblies
Liutkus, Mantas; Lopez-Andarias, Alicia; Mejias, Sara H.; Lopez-Andarias, Javier; Gil-Carton, David; Feixas, Ferran; Osuna, Silvia; Matsuda, Wakana; Sakurai, Tsuneaki; Seki, Shu; Atienza, Carmen; Martin, Nazario; Cortajarena, Aitziber L.
NANOSCALE
2040-3364 (2020)
DOI /
10.1039/c9nr07083d
Hybrid, Green published
Mentions
12
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0
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Article
Computational NMR Spectra of o-Benzyne and Stable Guests and Their Hemicarceplexes
Castro, Abril C.; Romero-Rivera, Adrian; Osuna, Silvia; Houk, K. N.; Swart, Marcel
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2020)
DOI /
10.1002/chem.201904756
Green accepted
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9
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0
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Article
Conformational Landscapes of Halohydrin Dehalogenases and Their Accessible Active Site Tunnels
Estevez-Gay, Miquel; Iglesias-Fernandez, Javier; Osuna, Silvia
CATALYSTS
(2020)
DOI /
10.3390/catal10121403
Green published, Gold
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10
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Review
The key role of aromaticity in the structure and reactivity of C-60 and endohedral metallofullerenes
Garcia-Borras, Marc; Luis, Josep M.; Sola, Miquel; Osuna, Silvia
INORGANICA CHIMICA ACTA
0020-1693 (2017)
DOI /
10.1016/j.ica.2017.07.044
Green accepted
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7
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0
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Article
Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Cuetos, Anibal; Iglesias-Fernandez, Javier; Danesh-Azari, Hamid-Reza; Zukic, Erna; Dowle, Adam; Osuna, Silvia; Grogan, Gideon
ACS CATALYSIS
2155-5435 (2020)
DOI /
10.1021/acscatal.0c02958
Green accepted
Mentions
4
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0
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Review
Role of conformational dynamics in the evolution of novel enzyme function
Maria-Solano, Miguel A.; Serrano-Hervas, Eila; Romero-Rivera, Adrian; Iglesias-Fernandez, Javier; Osuna, Silvia
CHEMICAL COMMUNICATIONS
1359-7345 (2018)
DOI /
10.1039/c8cc02426j
Hybrid, Green submitted, Green published
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9
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Article
Effect of incarcerated HF on the exohedral chemical reactivity of HF@C-60
Vidal, Sara; Izquierdo, Marta; Alom, Shamim; Garcia-Borras, Marc; Filippone, Salvatore; Osuna, Silvia; Sola, Miquel; Whitby, Richard J.; Martin, Nazario
CHEMICAL COMMUNICATIONS
1359-7345 (2017)
DOI /
10.1039/c7cc05987f
Green accepted
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9
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Article
Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures
Garcia-Borras, M.; Osuna, S.; Luis, J. M.; Sola, M.
CHEMICAL COMMUNICATIONS
1359-7345 (2017)
DOI /
10.1039/c7cc01750b
Green published, Hybrid
Mentions
3
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0
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Article
Site-Selectivity of Prato Additions to C-70: Experimental and Theoretical Studies of a New Thermodynamic Product at the dd-[5,6]-Junction
Liosi, Korinne; Romero-Rivera, Adrian; Semivrazhskaya, Olesya; Caniglia, Caravaggio D.; Garcia-Borras, Marc; Trapp, Nils; Osuna, Silvia; Yamakoshi, Yoko
ORGANIC LETTERS
1523-7060 (2019)
DOI /
10.1021/acs.orglett.9b01756
Mentions
4
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Article
Exploring the Conversion of a d-Sialic Acid Aldolase into a l-KDO Aldolase
Romero-Rivera, Adrian; Iglesias-Fernandez, Javier; Osuna, Silvia
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
1434-193X (2018)
DOI /
10.1002/ejoc.201800103
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4
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Regioselective Synthesis and Characterization of Tris- and Tetra-Prato Adducts of M3N@C-80 (M = Y, Gd)
Semivrazhskaya, Olesya; Aroua, Safwan; Yulikov, Maxim; Romero-Rivera, Adrian; Stevenson, Steven; Garcia-Borras, Marc; Osuna, Silvia; Yamakoshi, Yoko
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
0002-7863 (2020)
DOI /
10.1021/jacs.9b13768
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3
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Structures of Gd3N@C-80 Prato Bis-Adducts: Crystal Structure, Thermal Isomerization, and Computational Study
Semivrazhskaya, Olesya; Romero-Rivera, Adrian; Aroua, Safwan; Troyanov, Sergey I.; Garcia-Borras, Marc; Stevenson, Steven; Osuna, Silvia; Yamakoshi, Yoko
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
0002-7863 (2019)
DOI /
10.1021/jacs.9b05603
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5
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In Silico Identification and Experimental Validation of Distal Activity-Enhancing Mutations in Tryptophan Synthase
Maria-Solano, Miguel A.; Kinateder, Thomas; Iglesias-Fernandez, Javier; Sterner, Reinhard; Osuna, Silvia
ACS CATALYSIS
2155-5435 (2021)
DOI /
10.1021/acscatal.1c03950
Hybrid, Green published
