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Gustavo Seabra
Gustavo Seabra
Research Associate Professor, Department of Medicinal Chemistry, University of Florida
Verified email at cop.ufl.edu - Homepage
Title
Cited by
Cited by
Year
AMBER 10
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
There is no corresponding record for this reference.[Google Scholar] 10, 2008
86652008
AMBER 12
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
There is no corresponding record for this reference.[Google Scholar], 1-826, 2012
8647*2012
AMBER 14; University of California: San Francisco, 2014
DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ...
Google Scholar There is no corresponding record for this reference, 1-826, 2014
8581*2014
Amber 11
DA Case, T Darden, TE Cheatham III, C Simmerling, J Wang, R Duke, ...
University of California: San Francisco, 2010
84702010
AMBER 9
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
University of California, San Francisco, 2006
3679*2006
Implementation of the SCC-DFTB method for hybrid QM/MM simulations within the Amber molecular dynamics package
GM Seabra, RC Walker, M Elstner, DA Case, AE Roitberg
The Journal of Physical Chemistry A 111 (26), 5655-5664, 2007
2612007
Kollman PA
DA Case, TA Darden, ITE Cheatham, CL Simmerling, J Wang, RE Duke, ...
Amber, 2018
682018
Quantum-Mechanical Prediction of Thermochemical Data
AM Ferreira, G Seabra, O Dolgounitcheva, VG Zakrzewski, JV Ortiz, ...
Understanding Chemical Reactivity 22, 2001
652001
Are current semiempirical methods better than force fields? A study from the thermodynamics perspective
G de M. Seabra, RC Walker, AE Roitberg
The Journal of Physical Chemistry A 113 (43), 11938-11948, 2009
602009
Electron propagator theory calculations of molecular photoionization cross sections: The first-row hydrides
GM Seabra, IG Kaplan, VG Zakrzewski, JV Ortiz
The Journal of chemical physics 121 (9), 4143-4155, 2004
512004
A versatile AMBER‐Gaussian QM/MM interface through PUPIL
J Torras, GM Seabra, E Deumens, SB Trickey, AE Roitberg
Journal of computational chemistry 29 (10), 1564-1573, 2008
422008
Furan inhibitory activity against tyrosinase and impact on B16F10 cell toxicity
MR Barros, TM Menezes, LP da Silva, DS Pires, JL Princival, G Seabra, ...
International journal of biological macromolecules 136, 1034-1041, 2019
392019
Synthesis and antiinflammatory activity of 3-aryl-5-isopropyl-1, 2, 4-oxadiazoles
RM Srivastava, LPF de Morais, MΤJA Catanho, GML de Souza, ...
Heterocyclic Communications 6 (1), 41-48, 2000
392000
Application and testing of diagonal, partial third-order electron propagator approximations
AM Ferreira, G Seabra, O Dolgounitcheva, VG Zakrzewski, JV Ortiz
Quantum-mechanical prediction of thermochemical data, 131-160, 2001
382001
Diversity and chemical library networks of large data sets
TB Dunn, GM Seabra, TD Kim, KE Juárez-Mercado, C Li, ...
Journal of Chemical Information and Modeling 62 (9), 2186-2201, 2021
302021
Molecular photoionization cross sections in electron propagator theory: Angular distributions beyond the dipole approximation
GM Seabra, IG Kaplan, JV Ortiz
The Journal of chemical physics 123 (11), 2005
262005
University of California
R Duke, AW Gohlke, S Goetz, N Gusarov, P Homeyer, P Janowski, J Kaus, ...
San Francisco, 2014
252014
Preparation and reactions of 3-[3-(aryl)-1, 2, 4-oxadiazol-5-yl]: propionic acids
RM Srivastava, GM Seabra
Journal of the Brazilian Chemical Society 8, 397-405, 1997
241997
Effects of pyriproxyfen on zebrafish brain mitochondria and acetylcholinesterase
RDS Azevedo, KVG Falcão, CRD Assis, RMG Martins, MC Araújo, ...
Chemosphere 263, 128029, 2021
212021
Design and Synthesis of Triazole-Phthalimide Hybrids with Anti-inflammatory Activity
RNO Shalom P. de O. Assis, Moara T. da Silva, Filipe Torres da Silva ...
Chemical and Pharmaceutical Bulletin 67 (2), 96-105, 2019
202019
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