Gustavo Seabra

Citace

	Všechny	Od 2020
Citace	14055	3220
h-index	19	13
i10-index	31	19

940

470

235

705

2000200120022003200420052006200720082009201020112012201320142015201620172018201920202021202220232024202551 66 74 112 180 223 320 337 439 539 649 695 843 871 902 930 924 884 855 871 710 750 648 551 492 68

Veřejný přístup

Zobrazit všechny

8 článků

0 článků

dostupné

nedostupné

Vychází ze zplnomocnění pro financování

Spoluautoři

Ross C WalkerE-mailová adresa ověřena na: sdsc.edu
Adrian RoitbergFrank Harris Professor. Department of Chemistry. University of Florida.E-mailová adresa ověřena na: ufl.edu
Jorge Luiz NevesBrasilE-mailová adresa ověřena na: ufpe.br
J V OrtizRuth W. Molette Professor, Department of Chemistry and Biochemistry, Auburn UniversityE-mailová adresa ověřena na: auburn.edu
David A CaseRutgers UniversityE-mailová adresa ověřena na: biomaps.rutgers.edu
Juan TorrasUniversitat Politècnica de CatalunyaE-mailová adresa ověřena na: upc.edu
S.B. TrickeyProfessor, Physics and Chemistry, Univ. of Florida E-mailová adresa ověřena na: ufl.edu
Hendrik LueschProfessor and Chair, Medicinal Chemistry, University of FloridaE-mailová adresa ověřena na: cop.ufl.edu
Jefferson Luiz PrincivalProfessor of Organic Chemistry and Chemical Biology, Federal University of São João del-ReyE-mailová adresa ověřena na: ufsj.edu.br
Carlos SimmerlingMarsha Laufer Chair in Physical & Quantitative Biology, SUNY Stony BrookE-mailová adresa ověřena na: stonybrook.edu
Junmei WangProfessor of computational chemistry/biology, School of Pharmacy, University of PittsburghE-mailová adresa ověřena na: pitt.edu
Kenneth M. Merz Jr.Staff, Lerner Research Institute; Professor, Michigan State UniversityE-mailová adresa ověřena na: msu.edu
Michael F CrowleyPrincipal Scientist, National Renewable Energy LaboratoryE-mailová adresa ověřena na: nrel.gov
John MonganAssistant Professor of Radiology, University of California San FranciscoE-mailová adresa ověřena na: ucsf.edu

Sledovat

Gustavo Seabra

Research Associate Professor, Department of Medicinal Chemistry, University of Florida

E-mailová adresa ověřena na: cop.ufl.edu - Domovská stránka

Artificial Intelligence Structure-Based Drug Design Molecular Dynamics QM/MM Enzyme Reaction Mechanism


Název Seřadit podle citací Seřadit podle roku Seřadit podle názvu	Citace Citace	Rok
AMBER 10 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... There is no corresponding record for this reference.[Academic Search] 10, 2008	8992*	2008
AMBER 12 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... There is no corresponding record for this reference.[Academic Search], 1-826, 2012	8843*	2012
Amber 11 DA Case, T Darden, TE Cheatham III, C Simmerling, J Wang, R Duke, ... University of California: San Francisco, 2010	8664	2010
AMBER 9 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco, 2006	3681*	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	278	2007
AMBER 12 University of California DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... San Francisco 1 (3), 2012	250	2012
Kollman PA DA Case, TA Darden, ITE Cheatham, CL Simmerling, J Wang, RE Duke, ... Amber, 2018	77	2018
Quantum-Mechanical Prediction of Thermochemical Data AM Ferreira, G Seabra, O Dolgounitcheva, VG Zakrzewski, JV Ortiz, ... Understanding Chemical Reactivity 22, 2001	66	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	62	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
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	46	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	43	2021
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
Effects of pyriproxyfen on zebrafish brain mitochondria and acetylcholinesterase RDS Azevedo, KVG Falcão, CRD Assis, RMG Martins, MC Araújo, ... Chemosphere 263, 128029, 2021	28	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
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	24	2019
Molecular dynamics simulations reveal a novel mechanism for ATP inhibition of insulin degrading enzyme CHB da Cruz, G Seabra Journal of chemical information and modeling 54 (5), 1380-1390, 2014	20	2014

Systém momentálně nemůže danou operaci provést. Zkuste to znovu později.

Články 1–20

Citace za rok

Duplicitní citace

Sloučené citace

Přidat spoluautorySpoluautoři

Sledovat

Citace

Spoluautoři