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Igor Barden Grillo

Showing results (1-10 of 8) with videos related to

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Journal of Chemical Information and Modeling|November 13, 2020
PRIMoRDiA: A Software to Explore Reactivity and Electronic Structure in Large BiomoleculesIgor Barden Grillo, Gabriel A Urquiza-Carvalho, Gerd Bruno Rocha
ACS Omega|February 2, 2026
The Role of the Electronic Structure during Protein Folding through Electron Density-Based Quantum Chemical DescriptorsAcassio Rocha-Santos, Igor Barden Grillo, Gabriel Aires Urquiza-Carvalho, et al.
Journal of Computational Chemistry|January 22, 2020
Semiempirical methods do Fukui functions: Unlocking a modeling framework for biosystemsIgor Barden Grillo, Gabriel A Urquiza-Carvalho, Elton José Ferreira Chaves, et al.
Journal of Chemical Information and Modeling|January 3, 2020
Elucidating Enzymatic Catalysis Using Fast Quantum Chemical DescriptorsIgor Barden Grillo, Gabriel A Urquiza-Carvalho, José Fernando Ruggiero Bachega, et al.
Journal of Molecular Modeling|July 15, 2024
Exploring the electronic structure of knotted proteins: the case of two ornithine transcarbamylase familyJosé Cícero Alves Silva, Igor Barden Grillo, Gabriel A Urquiza-Carvalho, et al.
ACS Omega|April 12, 2021
Thermochemical and Quantum Descriptor Calculations for Gaining Insight into Ricin Toxin A (RTA) InhibitorsAcassio Rocha-Santos, Elton José Ferreira Chaves, Igor Barden Grillo, et al.
Journal of Molecular Modeling|October 8, 2020
Theoretical characterization of the shikimate 5-dehydrogenase reaction from Mycobacterium tuberculosis by hybrid QC/MM simulations and quantum chemical descriptorsIgor Barden Grillo, José Fernando Ruggiero Bachega, Luis Fernando S M Timmers, et al.
Journal of Biomolecular Structure & Dynamics|May 10, 2021
A higher flexibility at the SARS-CoV-2 main protease active site compared to SARS-CoV and its potentialities for new inhibitor virtual screening targeting multi-conformersRafael E O Rocha, Elton J F Chaves, Pedro H C Fischer, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
Journal of Chemical Information and Modeling|November 13, 2020
PRIMoRDiA: A Software to Explore Reactivity and Electronic Structure in Large BiomoleculesIgor Barden Grillo, Gabriel A Urquiza-Carvalho, Gerd Bruno Rocha
ACS Omega|February 2, 2026
The Role of the Electronic Structure during Protein Folding through Electron Density-Based Quantum Chemical DescriptorsAcassio Rocha-Santos, Igor Barden Grillo, Gabriel Aires Urquiza-Carvalho, et al.
Journal of Computational Chemistry|January 22, 2020
Semiempirical methods do Fukui functions: Unlocking a modeling framework for biosystemsIgor Barden Grillo, Gabriel A Urquiza-Carvalho, Elton José Ferreira Chaves, et al.
Journal of Chemical Information and Modeling|January 3, 2020
Elucidating Enzymatic Catalysis Using Fast Quantum Chemical DescriptorsIgor Barden Grillo, Gabriel A Urquiza-Carvalho, José Fernando Ruggiero Bachega, et al.
Journal of Molecular Modeling|July 15, 2024
Exploring the electronic structure of knotted proteins: the case of two ornithine transcarbamylase familyJosé Cícero Alves Silva, Igor Barden Grillo, Gabriel A Urquiza-Carvalho, et al.
ACS Omega|April 12, 2021
Thermochemical and Quantum Descriptor Calculations for Gaining Insight into Ricin Toxin A (RTA) InhibitorsAcassio Rocha-Santos, Elton José Ferreira Chaves, Igor Barden Grillo, et al.
Journal of Molecular Modeling|October 8, 2020
Theoretical characterization of the shikimate 5-dehydrogenase reaction from Mycobacterium tuberculosis by hybrid QC/MM simulations and quantum chemical descriptorsIgor Barden Grillo, José Fernando Ruggiero Bachega, Luis Fernando S M Timmers, et al.
Journal of Biomolecular Structure & Dynamics|May 10, 2021
A higher flexibility at the SARS-CoV-2 main protease active site compared to SARS-CoV and its potentialities for new inhibitor virtual screening targeting multi-conformersRafael E O Rocha, Elton J F Chaves, Pedro H C Fischer, et al.
Pageof 1