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Gustavo Seabra
Gustavo Seabra
Research Associate Professor, Department of Medicinal Chemistry, University of Florida
在 cop.ufl.edu 的电子邮件经过验证 - 首页
标题
引用次数
引用次数
年份
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
8852*2008
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
8711*2012
Amber 11
DA Case, T Darden, TE Cheatham III, C Simmerling, J Wang, R Duke, ...
University of California: San Francisco, 2010
85322010
AMBER 9
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
University of California, San Francisco, 2006
3658*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
2712007
AMBER 12 University of California
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
San Francisco 1 (3), 2012
1882012
Kollman PA
DA Case, TA Darden, ITE Cheatham, CL Simmerling, J Wang, RE Duke, ...
Amber, 2018
732018
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
612009
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
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
402000
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
392001
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
382019
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
322021
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
252005
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
251997
Effects of pyriproxyfen on zebrafish brain mitochondria and acetylcholinesterase
RDS Azevedo, KVG Falcão, CRD Assis, RMG Martins, MC Araújo, ...
Chemosphere 263, 128029, 2021
232021
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
212019
Effects of a chlorhexidine varnish on the gingival status of adolescents.
MI Valente, G Seabra, C Chiesa, R Almeida, C Djahjah, C Fonseca, ...
Journal (Canadian Dental Association) 62 (1), 46-48, 1996
191996
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