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ACS Catalysis
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February 26, 2026
Inactive but Essential: The Role of the Inactive State of E49 in the Mechanism of the Alpha Subunit of Tryptophan Synthase and Its Stand-Alone Blueprint <i>Zm</i>BX1
Cristina Duran, Sílvia Osuna
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 31, 2009
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
Sílvia Osuna, Kendall N Houk
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 28, 2009
Reactivity and regioselectivity of noble gas endohedral fullerenes Ng@C(60) and Ng(2)@C(60) (Ng=He-Xe)
Sílvia Osuna, Marcel Swart, Miquel Solà
JACS Au
|
June 30, 2023
AlphaFold2 and Deep Learning for Elucidating Enzyme Conformational Flexibility and Its Application for Design
Guillem Casadevall, Cristina Duran, Sílvia Osuna
The Journal of Physical Chemistry. A
|
March 29, 2011
Dispersion corrections essential for the study of chemical reactivity in fullerenes
Sílvia Osuna, Marcel Swart, Miquel Solà
Faraday Discussions
|
June 24, 2024
Harnessing conformational dynamics in enzyme catalysis to achieve nature-like catalytic efficiencies: the shortest path map tool for computational enzyme redesign
Cristina Duran, Guillem Casadevall, Sílvia Osuna
Physical Chemistry Chemical Physics : PCCP
|
November 27, 2010
The reactivity of endohedral fullerenes. What can be learnt from computational studies?
Sílvia Osuna, Marcel Swart, Miquel Solà
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 2, 2010
On the mechanism of action of fullerene derivatives in superoxide dismutation
Sílvia Osuna, Marcel Swart, Miquel Solà
Journal of the American Chemical Society
|
January 15, 2009
The Diels-Alder reaction on endohedral Y3N@C78: the importance of the fullerene strain energy
Sílvia Osuna, Marcel Swart, Miquel Solà
The Journal of Physical Chemistry. A
|
August 8, 2025
Computational Exploration of Xe Dimers Inside Fullerene Cages
Athul Santha Bhaskaran, Sílvia Osuna, Marcel Swart
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Search research articles
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Showing results (1-10 of 102) with videos related to
Sort By:
Page
of 11
ACS Catalysis
|
February 26, 2026
Inactive but Essential: The Role of the Inactive State of E49 in the Mechanism of the Alpha Subunit of Tryptophan Synthase and Its Stand-Alone Blueprint <i>Zm</i>BX1
Cristina Duran, Sílvia Osuna
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 31, 2009
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
Sílvia Osuna, Kendall N Houk
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 28, 2009
Reactivity and regioselectivity of noble gas endohedral fullerenes Ng@C(60) and Ng(2)@C(60) (Ng=He-Xe)
Sílvia Osuna, Marcel Swart, Miquel Solà
JACS Au
|
June 30, 2023
AlphaFold2 and Deep Learning for Elucidating Enzyme Conformational Flexibility and Its Application for Design
Guillem Casadevall, Cristina Duran, Sílvia Osuna
The Journal of Physical Chemistry. A
|
March 29, 2011
Dispersion corrections essential for the study of chemical reactivity in fullerenes
Sílvia Osuna, Marcel Swart, Miquel Solà
Faraday Discussions
|
June 24, 2024
Harnessing conformational dynamics in enzyme catalysis to achieve nature-like catalytic efficiencies: the shortest path map tool for computational enzyme redesign
Cristina Duran, Guillem Casadevall, Sílvia Osuna
Physical Chemistry Chemical Physics : PCCP
|
November 27, 2010
The reactivity of endohedral fullerenes. What can be learnt from computational studies?
Sílvia Osuna, Marcel Swart, Miquel Solà
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 2, 2010
On the mechanism of action of fullerene derivatives in superoxide dismutation
Sílvia Osuna, Marcel Swart, Miquel Solà
Journal of the American Chemical Society
|
January 15, 2009
The Diels-Alder reaction on endohedral Y3N@C78: the importance of the fullerene strain energy
Sílvia Osuna, Marcel Swart, Miquel Solà
The Journal of Physical Chemistry. A
|
August 8, 2025
Computational Exploration of Xe Dimers Inside Fullerene Cages
Athul Santha Bhaskaran, Sílvia Osuna, Marcel Swart
Page
of 11