Gustavo Seabra

Implementation of the SCC-DFTB Method for Hybrid QM/MM Simulations within the Amber Molecular Dynamics Package

Gustavo Seabra, Ross C. Walker, Marcus Elstner et al. · The Journal of Physical Chemistry A · 2007 · 263 citations

Engineering, Material Simulation, Computational Chemistry +18

Are Current Semiempirical Methods Better Than Force Fields? A Study from the Thermodynamics Perspective

Gustavo Seabra, Ross C. Walker, Adrián E. Roitberg · The Journal of Physical Chemistry A · 2009 · 52 citations

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

Gustavo Seabra, Ilya G. Kaplan, V. G. Zakrzewski et al. · The Journal of Chemical Physics · 2004 · 50 citations · Full text

Engineering, Computational Chemistry, Chemistry +18

Diversity and Chemical Library Networks of Large Data Sets

Timothy B. Dunn, Gustavo Seabra, Taewon David Kim et al. · Journal of Chemical Information and Modeling · 2021 · 50 citations

Engineering, Molecular Biology, Bioinformatics Database +17

Furan inhibitory activity against tyrosinase and impact on B16F10 cell toxicity

Marcela Rodrigues Barros, Thaıs Meira Menezes, Lucas Pereira da Silva et al. · International Journal of Biological Macromolecules · 2019 · 43 citations

B16f10 Cell Toxicity, Biochemistry, Tannin +7