Theo dõi
Gustavo Seabra
Gustavo Seabra
Research Associate Professor, Department of Medicinal Chemistry, University of Florida
Email được xác minh tại cop.ufl.edu - Trang chủ
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
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
9658*2008
Amber 11
DA Case, T Darden, TE Cheatham III, C Simmerling, J Wang, R Duke, ...
University of California: San Francisco, 2010
88792010
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
8875*2012
AMBER 9
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
University of California, San Francisco, 2006
35942006
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
2842007
AMBER 12 University of California
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
San Francisco 1 (3), 2012
2032012
San Francisco: University of California; 2008
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
AMBER10.[Google Scholar], 2004
1642004
Kollman PA
DA Case, TA Darden, ITE Cheatham, CL Simmerling, J Wang, RE Duke, ...
Amber, 2018
782018
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
PA Kollman, AMBER 14, 2020
732020
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
622009
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
522004
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
452019
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
432021
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
Effects of pyriproxyfen on zebrafish brain mitochondria and acetylcholinesterase
RDS Azevedo, KVG Falcão, CRD Assis, RMG Martins, MC Araújo, ...
Chemosphere 263, 128029, 2021
302021
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
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
242019
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