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The Journal of Physical Chemistry. B
|
October 5, 2023
Understanding the Multifaceted Mechanism of Compound I Formation in Unspecific Peroxygenases through Multiscale Simulations
Gustavo J Costa, Ruibin Liang
ACS Central Science
|
July 29, 2025
Decrypting the Nonadiabatic Photoinduced Electron Transfer Mechanism in Light-Sensing Cryptochrome
Gustavo J Costa, Ruibin Liang
Journal of Chemical Theory and Computation
|
August 22, 2023
On the Simulation of Thermal Isomerization of Molecular Photoswitches in Biological Systems
Amirhossein Bakhtiiari, Gustavo J Costa, Ruibin Liang
The Journal of Physical Chemistry. B
|
December 14, 2023
Computational Characterization of the Reactivity of Compound I in Unspecific Peroxygenases
Gustavo J Costa, Abel Egbemhenghe, Ruibin Liang
Journal of Chemical Information and Modeling
|
November 20, 2025
A Multiscale Simulation Framework for Elucidating Photochemical Structure-Activity Relationships of Photoswitchable Ligands in Complex Biomolecular Environments
Amirhossein Bakhtiiari, Mohammad Khavani, Gustavo J Costa, et al.
Journal of Chemical Theory and Computation
|
May 1, 2025
Development of Parallel On-the-Fly <i>Crystal</i> Algorithm for Reaction Discovery in Large and Complex Molecular Systems
Ankit Pandey, Gustavo J Costa, Mushfiq Alam, et al.
Journal of Chemical Theory and Computation
|
January 10, 2018
Fully Anharmonic Vibrational Resonance Raman Spectrum of Diatomic Systems
Gustavo J Costa, Antonio C Borin, Rogério Custodio, et al.
Photochemistry and Photobiology
|
July 5, 2023
The copious photochemistry of 2,6-diaminopurine: Luminescence, triplet population, and ground state recovery
Leonardo M F Oliveira, Danillo Valverde, Gustavo J Costa, et al.
Biorxiv : the Preprint Server for Biology
|
June 4, 2026
Multiscale Free-Energy Methods for Protonation-Coupled Light-Responsive Binding of Ionizable Photoswitchable eDHFR Inhibitors
Mohammad Khavani, Kambham Devendra Reddy, Pauf Neupane, et al.
Photochemistry and Photobiology
|
August 8, 2022
Resolving Ultrafast Photoinitiated Dynamics of the Hachimoji 5-aza-7-deazaguanine Nucleobase: Impact of Synthetically Expanding the Genetic Alphabet<sup>†</sup>
Sarah E Krul, Gustavo J Costa, Sean J Hoehn, et al.
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Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. B
|
October 5, 2023
Understanding the Multifaceted Mechanism of Compound I Formation in Unspecific Peroxygenases through Multiscale Simulations
Gustavo J Costa, Ruibin Liang
ACS Central Science
|
July 29, 2025
Decrypting the Nonadiabatic Photoinduced Electron Transfer Mechanism in Light-Sensing Cryptochrome
Gustavo J Costa, Ruibin Liang
Journal of Chemical Theory and Computation
|
August 22, 2023
On the Simulation of Thermal Isomerization of Molecular Photoswitches in Biological Systems
Amirhossein Bakhtiiari, Gustavo J Costa, Ruibin Liang
The Journal of Physical Chemistry. B
|
December 14, 2023
Computational Characterization of the Reactivity of Compound I in Unspecific Peroxygenases
Gustavo J Costa, Abel Egbemhenghe, Ruibin Liang
Journal of Chemical Information and Modeling
|
November 20, 2025
A Multiscale Simulation Framework for Elucidating Photochemical Structure-Activity Relationships of Photoswitchable Ligands in Complex Biomolecular Environments
Amirhossein Bakhtiiari, Mohammad Khavani, Gustavo J Costa, et al.
Journal of Chemical Theory and Computation
|
May 1, 2025
Development of Parallel On-the-Fly <i>Crystal</i> Algorithm for Reaction Discovery in Large and Complex Molecular Systems
Ankit Pandey, Gustavo J Costa, Mushfiq Alam, et al.
Journal of Chemical Theory and Computation
|
January 10, 2018
Fully Anharmonic Vibrational Resonance Raman Spectrum of Diatomic Systems
Gustavo J Costa, Antonio C Borin, Rogério Custodio, et al.
Photochemistry and Photobiology
|
July 5, 2023
The copious photochemistry of 2,6-diaminopurine: Luminescence, triplet population, and ground state recovery
Leonardo M F Oliveira, Danillo Valverde, Gustavo J Costa, et al.
Biorxiv : the Preprint Server for Biology
|
June 4, 2026
Multiscale Free-Energy Methods for Protonation-Coupled Light-Responsive Binding of Ionizable Photoswitchable eDHFR Inhibitors
Mohammad Khavani, Kambham Devendra Reddy, Pauf Neupane, et al.
Photochemistry and Photobiology
|
August 8, 2022
Resolving Ultrafast Photoinitiated Dynamics of the Hachimoji 5-aza-7-deazaguanine Nucleobase: Impact of Synthetically Expanding the Genetic Alphabet<sup>†</sup>
Sarah E Krul, Gustavo J Costa, Sean J Hoehn, et al.
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