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List of works by Gustavo M. Seabra

A Multiscale Treatment of Angeli's Salt Decomposition

scientific article published on 01 January 2009

Are current semiempirical methods better than force fields? A study from the thermodynamics perspective.

scientific article

Bifunctional Doscadenamides Activate Quorum Sensing in Gram-Negative Bacteria and Synergize with TRAIL to Induce Apoptosis in Cancer Cells

scientific article published on 22 January 2021

Comment on "A minimal implementation of the AMBER-GAUSSIAN interface for ab initio QM/MM-MD simulation"

scientific article published on 08 May 2012

Electron propagator theory calculations of molecular photoionization cross sections: the first-row hydrides

scientific article published on 01 September 2004

Molecular dynamics simulations reveal the influence of dextran sulfate in nanoparticle formation with calcium alginate to encapsulate insulin

scientific article published on 24 April 2017

Molecular photoionization cross sections in electron propagator theory: angular distributions beyond the dipole approximation

scientific article published on 01 September 2005

Reaction mechanism of the dengue virus serine protease: a QM/MM study

scientific article published on 24 June 2016

Response to 'On the antiviral activity and developmental toxicity of 6-methylmercaptopurine riboside (6MMPr)' and 'Acceleration with the brakes on?'

article

Spiro-acridine inhibiting tyrosinase enzyme: Kinetic, protein-ligand interaction and molecular docking studies

scientific article published on 26 October 2018

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