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 | 8532 | 2010 |
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 | 271 | 2007 |
AMBER 12 University of California DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... San Francisco 1 (3), 2012 | 188 | 2012 |
Kollman PA DA Case, TA Darden, ITE Cheatham, CL Simmerling, J Wang, RE Duke, ... Amber, 2018 | 73 | 2018 |
Quantum-Mechanical Prediction of Thermochemical Data AM Ferreira, G Seabra, O Dolgounitcheva, VG Zakrzewski, JV Ortiz, ... Understanding Chemical Reactivity 22, 2001 | 65 | 2001 |
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 | 61 | 2009 |
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 | 51 | 2004 |
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 | 42 | 2008 |
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 | 40 | 2000 |
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 | 39 | 2001 |
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 | 38 | 2019 |
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 | 32 | 2021 |
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 | 25 | 2005 |
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 | 25 | 1997 |
Effects of pyriproxyfen on zebrafish brain mitochondria and acetylcholinesterase RDS Azevedo, KVG Falcão, CRD Assis, RMG Martins, MC Araújo, ... Chemosphere 263, 128029, 2021 | 23 | 2021 |
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 | 21 | 2019 |
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 | 19 | 1996 |