Silvia Osuna
Silvia Osuna
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The role of distant mutations and allosteric regulation on LovD active site dynamics
G Jiménez-Osés, S Osuna, X Gao, MR Sawaya, L Gilson, SJ Collier, ...
Nature chemical biology 10 (6), 431-436, 2014
The reactivity of endohedral fullerenes. What can be learnt from computational studies?
S Osuna, M Swart, M Sola
Physical Chemistry Chemical Physics 13 (9), 3585-3603, 2011
Covalently patterned graphene surfaces by a force-accelerated Diels–Alder reaction
S Bian, AM Scott, Y Cao, Y Liang, S Osuna, KN Houk, AB Braunschweig
Journal of the American Chemical Society 135 (25), 9240-9243, 2013
Dispersion corrections essential for the study of chemical reactivity in fullerenes
S Osuna, M Swart, M Sola
The Journal of Physical Chemistry A 115 (15), 3491-3496, 2011
Sponge-like molecular cage for purification of fullerenes
C García-Simón, M Garcia-Borràs, L Gómez, T Parella, S Osuna, ...
Nature communications 5 (1), 1-9, 2014
Scalable and selective dispersion of semiconducting arc-discharged carbon nanotubes by dithiafulvalene/thiophene copolymers for thin film transistors
H Wang, J Mei, P Liu, K Schmidt, G Jiménez-Osés, S Osuna, L Fang, ...
ACS nano 7 (3), 2659-2668, 2013
Cycloaddition reactions of butadiene and 1, 3‐dipoles to curved arenes, fullerenes, and nanotubes: Theoretical evaluation of the role of distortion energies on activation barriers
S Osuna, KN Houk
Chemistry–A European Journal 15 (47), 13219-13231, 2009
The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo) fullerenes
M Garcia-Borras, S Osuna, JM Luis, M Swart, M Sola
Chemical Society Reviews 43 (14), 5089-5105, 2014
Diels–Alder reactions of graphene: computational predictions of products and sites of reaction
Y Cao, S Osuna, Y Liang, RC Haddon, KN Houk
Journal of the American Chemical Society 135 (46), 17643-17649, 2013
Origins of stereoselectivity in evolved ketoreductases
EL Noey, N Tibrewal, G Jiménez-Osés, S Osuna, J Park, CM Bond, ...
Proceedings of the National Academy of Sciences 112 (51), E7065-E7072, 2015
Computational tools for the evaluation of laboratory-engineered biocatalysts
A Romero-Rivera, M Garcia-Borràs, S Osuna
Chemical Communications 53 (2), 284-297, 2017
Role of conformational dynamics in the evolution of novel enzyme function
MA Maria-Solano, E Serrano-Hervás, A Romero-Rivera, ...
Chemical Communications 54 (50), 6622-6634, 2018
Molecular dynamics explorations of active site structure in designed and evolved enzymes
S Osuna, G Jimenez-Oses, EL Noey, KN Houk
Accounts of chemical research 48 (4), 1080-1089, 2015
Reaction mechanisms for graphene and carbon nanotube fluorination
S Osuna, M Torrent-Sucarrat, M Sola, P Geerlings, CP Ewels, GV Lier
The Journal of Physical Chemistry C 114 (8), 3340-3345, 2010
On the mechanism of the thermal retrocycloaddition of pyrrolidinofullerenes (retro‐Prato reaction)
S Filippone, MI Barroso, Á Martín‐Domenech, S Osuna, M Solà, N Martin
Chemistry–A European Journal 14 (17), 5198-5206, 2008
Intrinsic enzymatic properties modulate the self-propulsion of micromotors
X Arqué, A Romero-Rivera, F Feixas, T Patiño, S Osuna, S Sánchez
Nature communications 10 (1), 1-12, 2019
Enantiospecific cistrans Isomerization in Chiral Fulleropyrrolidines: Hydrogen-Bonding Assistance in the Carbanion Stabilization in H2O@C60
EE Maroto, J Mateos, M Garcia-Borras, S Osuna, S Filippone, MÁ Herranz, ...
Journal of the American Chemical Society 137 (3), 1190-1197, 2015
Chemical Reactivity of D3h C78 (Metallo)Fullerene: Regioselectivity Changes Induced by Sc3N Encapsulation
S Osuna, M Swart, JM Campanera, JM Poblet, M Solà
Journal of the American Chemical Society 130 (19), 6206-6214, 2008
The Diels−Alder Reaction on Endohedral Y3N@C78: The Importance of the Fullerene Strain Energy
S Osuna, M Swart, M Sola
Journal of the American Chemical Society 131 (1), 129-139, 2009
Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes
M Garcia‐Borràs, S Osuna, M Swart, JM Luis, M Solà
Angewandte Chemie 125 (35), 9445-9448, 2013
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