Biocatalysis EL Bell, W Finnigan, SP France, AP Green, MA Hayes, LJ Hepworth, ... Nature Reviews Methods Primers 1 (1), 1-21, 2021 | 414 | 2021 |
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 | 210 | 2014 |
Sponge-like molecular cage for purification of fullerenes C García-Simón, M Garcia-Borràs, L Gómez, T Parella, S Osuna, ... Nature communications 5 (1), 5557, 2014 | 174 | 2014 |
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 | 153 | 2018 |
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), 2826, 2019 | 152 | 2019 |
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 | 140 | 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 | 138 | 2013 |
Role of conformational dynamics in the evolution of retro-aldolase activity A Romero-Rivera, M Garcia-Borras, S Osuna ACS catalysis 7 (12), 8524-8532, 2017 | 136 | 2017 |
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 | 135 | 2011 |
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 | 131 | 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 | 122 | 2017 |
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 | 118 | 2014 |
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 | 116 | 2015 |
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 | 115 | 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 | 107 | 2009 |
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 | 106 | 2013 |
Regio‐and stereoselective steroid hydroxylation at C7 by cytochrome P450 monooxygenase mutants A Li, CG Acevedo‐Rocha, L D'Amore, J Chen, Y Peng, M Garcia‐Borràs, ... Angewandte Chemie 132 (30), 12599-12605, 2020 | 97 | 2020 |
The challenge of predicting distal active site mutations in computational enzyme design S Osuna Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (3), e1502, 2021 | 95 | 2021 |
p38γ is essential for cell cycle progression and liver tumorigenesis A Tomas-Loba, E Manieri, B Gonzalez-Teran, A Mora, L Leiva-Vega, ... Nature 568 (7753), 557-560, 2019 | 85 | 2019 |
Pervasive cooperative mutational effects on multiple catalytic enzyme traits emerge via long-range conformational dynamics CG Acevedo-Rocha, A Li, L D’Amore, S Hoebenreich, J Sanchis, ... Nature Communications 12 (1), 1621, 2021 | 83 | 2021 |