Albérico Borges Ferreira Da Silva

Dados pessoais

Lattes
Grupos de Pesquisa
Genealogia Acadêmica

Nacionalidade: Brasileira
Grande área de atuação: Ciências Exatas e da Terra
Área de atuação: Química

Publicações

Total: 408

Área temática ASJC

Percentual das publicações classificadas

HS Ciências da Saúde
LS Ciências da Vida
MU Multidisciplinar
PS Ciências Físicas
SH Ciências Sociais e Humanidades

Categoria ASJC

Categorias ASJC mais frequentes

Nome	Vínculo	Grande área de atuação	Área de atuação
Nome	Vínculo	Grande área de atuação	Área de atuação
Agnaldo ARROIO		Ciências Humanas	Educação
Aguinaldo Robinson De SOUZA		Ciências Exatas e da Terra	Química
Aline Estefany Brandão LIMA		Ciências Exatas e da Terra	Química
Antonio Maia De Jesus Chaves NETO		Engenharias	Engenharia Química
Claudio Nahum ALVES		Ciências Exatas e da Terra	Química
Davi Do Socorro Barros BRASIL		Ciências Exatas e da Terra	Química
Éder Tadeu Gomes CAVALHEIRO		Ciências Exatas e da Terra	Química
Emmanuela Ferreira De LIMA		Ciências Exatas e da Terra	Química
Geraldo Eduardo Da Luz JÚNIOR		Ciências Exatas e da Terra	Química
Hawbertt Rocha COSTA		Ciências Humanas	Educação
Jaldyr De Jesus Gomes Varela JÚNIOR		Ciências Exatas e da Terra	Química
Joaquim De Araújo NÓBREGA		Ciências Exatas e da Terra	Química
José Ciríaco PINHEIRO		Ciências Exatas e da Terra	Química
Karen Cacilda WEBER		Ciências Exatas e da Terra	Química
Kathia Maria HONORIO		Ciências Exatas e da Terra	Química
Lourivaldo Da Silva SANTOS		Ciências Agrárias	Recursos Florestais e Engenharia Florestal
Luiz Henrique FERREIRA		Ciências Exatas e da Terra	Química
Paula Homem De MELLO		Ciências Exatas e da Terra	Química
Yassuko IAMAMOTO		Ciências Exatas e da Terra	Química

Figura 1

Número de publicações por ano e por tipo

Todas as publicações do perfil

Figura 2

Categorias ASJC mais frequentes por ano

A cor dos pontos identifica a categoria predominante

Figura 3

Mapa de calor das categorias ASJC por ano

Frequências absolutas; cores mais escuras indicam mais publicações. Todas as categorias ASJC e anos disponíveis, sem aplicar os filtros da página.

Escala: 0 → 19

Mapa de calor das categorias ASJC por ano
Categoria ASJC	1984	1985	1986	1987	1988	1989	1990	1991	1992	1993	1994	1995	1996	1997	1998	1999	2000	2001	2002	2003	2004	2005	2006	2007	2008	2009	2010	2011	2012	2013	2014	2015	2016	2017	2018	2019	2020	2021	2022	2023
1606 · Physical and Theoretical Chemistry	1	2	1	3	2	3	4	2	2	5	2	8	6	3	4	8	0	12	2	11	12	19	7	4	3	3	2	3	2	3	4	6	2	2	1	2	2	1	2	1
1605 · Organic Chemistry	0	0	1	0	0	0	0	0	0	0	0	1	2	0	3	0	2	5	6	10	7	2	2	3	1	1	1	1	0	3	1	1	0	2	2	0	2	0	0	0
1303 · Biochemistry	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	2	2	0	1	1	2	1	1	2	0	0	2	1	0	0	0	0	1	0	0	1	0	0
1601 · Chemistry (miscellaneous)	0	0	0	0	0	0	0	0	1	0	0	1	0	0	2	1	1	0	2	2	1	1	1	0	1	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0
3107 · Atomic and Molecular Physics; and Optics	0	0	0	0	1	1	0	0	0	0	0	0	1	3	0	2	0	0	0	0	1	1	0	1	1	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1301 · Biochemistry; Genetics and Molecular Biology (miscellaneous)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	2	1	2	1	0	0	0	1	0	0	1	3	0	0	1	0	0	0	1	0	0
3002 · Drug Discovery	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	1	0	0	2	0	1	0	2	0	0	0	0	0	0	1	1	3	0	0
1602 · Analytical Chemistry	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	3	2	1	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0
1603 · Electrochemistry	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	2	1	2	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0
1604 · Inorganic Chemistry	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	4	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
3304 · Education	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	2	2	3	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
3004 · Pharmacology	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	1	0	2	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
1607 · Spectroscopy	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	2	0	0	0	0	0	0	0	1	1	0	0	2	0	0	0	0	0	0	0
1103 · Animal Science and Zoology	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1311 · Genetics	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0
3001 · Pharmacology; Toxicology and Pharmaceutics (miscellaneous)	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
1000 · Multidisciplinary	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1702 · Artificial Intelligence	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0
2610 · Mathematical Physics	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0
3103 · Astronomy and Astrophysics	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	0
1106 · Food Science	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1308 · Clinical Biochemistry	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1503 · Catalysis	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2404 · Microbiology	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
2716 · Genetics (clinical)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
1101 · Agricultural and Biological Sciences (miscellaneous)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1304 · Biophysics	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0
1313 · Molecular Medicine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1315 · Structural Biology	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2301 · Environmental Science (miscellaneous)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2304 · Environmental Chemistry	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2405 · Parasitology	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
2504 · Electronic; Optical and Magnetic Materials	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0
2612 · Numerical Analysis	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2704 · Biochemistry (medical)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0
2736 · Pharmacology (medical)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0
2916 · Nutrition and Dietetics	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
3005 · Toxicology	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0
3100 · General Physics and Astronomy	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
3104 · Condensed Matter Physics	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0

Ano	Tipo	Registro	Área temática e categoria ASJC
	Tipo de Publicação	Registro	Área temática e categoria ASJC
2023	Artigo em periódico	Molecular structure of Ru(II)/diphosphine/4;6-dimethyl-2-pyrimidinethiol complexes: A combined experimental and density functional theory study Lima Benedicto A V; Varela Jaldyr De J G; Ellena JAVIER; Batista Alzir A; Albérico Borges Ferreira Da SILVA et al JOURNAL OF MOLECULAR STRUCTURE DOI 10.1016/j.molstruc.2023.135234 ISSN 0022-2860	PS Physical and Theoretical Chemistry
2023	Artigo em periódico	A PLS study on the psychotropic activity for a series of cannabinoid compounds Chiari Laise P A; Da Silva Aldineia P; Honório Kathia M; Albérico Borges Ferreira Da SILVA JOURNAL OF MOLECULAR MODELING DOI 10.1007/s00894-023-05443-5 ISSN 1610-2940	LS Pharmacology
2022	Artigo em periódico	Examining the Effect of Charged Lipids on Mitochondrial Outer Membrane Dynamics Using Atomistic Simulations Oliveira Aline A; Róg TOMASZ; Albérico Borges Ferreira Da SILVA; Amaro Rommie E; Johnson Mark S et al BIOMOLECULES DOI 10.3390/biom12020183 ISSN 2218-273X	LS Biophysics
2022	Artigo em periódico	Bridging experiment and theory: morphology; optical; electronic; and magnetic properties of MnWO4 Assis MARCELO; Tello Ana C M; Abud Fabio S A; Negre PABLO; Ribeiro Lara K et al APPLIED SURFACE SCIENCE DOI 10.1016/j.apsusc.2022.154081 ISSN 0169-4332	PS Electronic; Optical and Magnetic Materials
2022	Artigo em periódico	Towards a relationship between photoluminescence emissions and photocatalytic activity of Ag 2</sub> SeO 4</sub> : combining experimental data and theoretical insights Pinatti Ivo M; Tello Ana C M; Pereira Paula F S; Trench Aline B; Teodoro Marcio D et al DALTON TRANSACTIONS DOI 10.1039/d2dt01057g ISSN 1477-9226	PS Physical and Theoretical Chemistry
2022	Artigo em periódico	A mechanistic view of the reaction between phosphine and fluorine atom: Insights into PH3F isomers Viana Rommel B; Savedra Ranylson M L; Albérico Borges Ferreira Da SILVA Computational and Theoretical Chemistry DOI 10.1016/j.comptc.2022.113769 ISSN 2210-271X	PS Physical and Theoretical Chemistry
2021	Artigo em periódico	A partial least squares and artificial neural network study for a series of arylpiperazines as antidepressant agents Santos Genisson R; Chiari Laise P A; Da Silva Aldineia P; Lipinski Célio F; Oliveira Aline A et al JOURNAL OF MOLECULAR MODELING DOI 10.1007/s00894-021-04906-x ISSN 1610-2940	LS Drug Discovery
2021	Artigo em periódico	New D2R partial agonist candidates: an in silico approach from statistical models; molecular docking; and ADME/Tox properties Da Silva Aldineia P; Chiari Laise P A; Guimarães Amanda R; Honorio Kathia M; Albérico Borges Ferreira Da SILVA STRUCTURAL CHEMISTRY DOI 10.1007/s11224-021-01742-w ISSN 1040-0400	LS Biochemistry
2021	Artigo em periódico	Drug design of new 5-HT6R antagonists aided by artificial neural networks Da Silva Aldineia P; Chiari Laise P A; Guimaraes Amanda R; Honorio Kathia M; Albérico Borges Ferreira Da SILVA JOURNAL OF MOLECULAR GRAPHICS & MODELLING DOI 10.1016/j.jmgm.2021.107844 ISSN 1093-3263	LS Drug Discovery
2021	Artigo em periódico	Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks Chiari Laise P A; Da Silva Aldineia P; De Oliveira Aline A; Lipinski Célio F; Honório Kathia M et al JOURNAL OF MOLECULAR STRUCTURE DOI 10.1016/j.molstruc.2020.129156 ISSN 0022-2860	LS Drug Discovery
2021	Artigo em periódico	A Theoretical Antioxidant Mechanism for Cytoprotective Effect of p-AcetamideSalicylate Derivatives against Free Radical Initiator AAPH in Human Erythrocytes Barros VALÉRIA; Pereira GLAÉCIA; Ota SIRLENE; Melo FERNANDA; De Jesus Ana CAROLINA et al JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY DOI 10.21577/0103-5053.20210033 ISSN 0103-5053	LS Biochemistry; Genetics and Molecular Biology (miscellaneous)
2021	Artigo em periódico	Generation; contraction; and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl R Guimarães AMANDA; Barbosa Rugles C; Mora Tello Ana CRISTINA; P Da Silva ALDINEIA; A Alves Júlia M et al PHYSICAL CHEMISTRY CHEMICAL PHYSICS DOI 10.1039/d1cp01879e ISSN 1463-9076	PS Physical and Theoretical Chemistry
2020	Artigo em periódico	On polarization functions for Gaussian basis sets Maringolo Milena PALHARES; Tello Ana Cristina MORA; Guimarães Amanda RIBEIRO; Alves Júlia Maria ARAGON; Das Chagas Alves Lima FRANCISCO et al JOURNAL OF MOLECULAR MODELING DOI 10.1007/s00894-020-04538-7 ISSN 1610-2940	PS Physical and Theoretical Chemistry
2020	Artigo em periódico	Determination of Tetracycline Using a Graphite-Polyurethane Composite Electrode Modified with a Molecularly Imprinted Polymer Clarindo J E S; Rommel B VIANA; Cervini P; Albérico Borges Ferreira Da SILVA; Eder Tadeu Gomes CAVALHEIRO ANALYTICAL LETTERS DOI 10.1080/00032719.2020.1725540 ISSN 0003-2719	PS Analytical Chemistry
2020	Artigo em periódico	Accurate atomic electron affinities calculated by using anionic Gaussian basis sets Costa Amaral RAFAEL; Tello Ana C M; Comar MOACYR; Albérico Borges Ferreira Da SILVA THEORETICAL CHEMISTRY ACCOUNTS DOI 10.1007/s00214-020-02629-5 ISSN 1432-881X	PS Physical and Theoretical Chemistry
2020	Artigo em periódico	Drug design of new 5-HT6 antagonists: a QSAR study of arylsulfonamide derivatives Da Silva Aldineia P; De Angelo Rafaela M; De Paula HEBERTH; Honório Kathia M; Albérico Borges Ferreira Da SILVA STRUCTURAL CHEMISTRY DOI 10.1007/s11224-020-01513-z ISSN 1040-0400	LS Drug Discovery
2020	Artigo em periódico	New Heteroleptic RuII/Diphosphine Complexes with Cytotoxicity against Human Breast and Murine Ascitic Sarcoma 180 Tumor Cells Lima BENEDICTO; Corrêa RODRIGO; Graminha ANGÉLICA; Varela Júnior JALDYR; Albérico Borges Ferreira Da SILVA et al JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY DOI 10.21577/0103-5053.20200020 ISSN 0103-5053	PS Organic Chemistry
2020	Artigo em periódico	Experimental and theoretical study on structure-tautomerism among edaravone; isoxazolone; and their heterocycles derivatives as antioxidants Queiroz Auriekson N; Martins Camila C; Santos Kelton L B; Carvalho Ederson S; Owiti Alex O et al SAUDI PHARMACEUTICAL JOURNAL DOI 10.1016/j.jsps.2020.06.001 ISSN 1319-0164	PS Organic Chemistry
2020	Artigo em periódico	Microwave-Driven Hexagonal-to-Monoclinic Transition in BiPO 4</sub> : An In-Depth Experimental Investigation and First-Principles Study Tello Ana C M; Assis MARCELO; Menasce RICARDO; Gouveia Amanda F; Teodoro VINICIUS et al INORGANIC CHEMISTRY DOI 10.1021/acs.inorgchem.0c00181 ISSN 0020-1669	PS Inorganic Chemistry
2019	Artigo em periódico	Crystal packing of a zinc(II)-azide complex with a N;N;S-tridentate thiosemicarbazone ligand: An experimental and computational study Dos Santos Sinara F F; Oliveira Aline A; R Santos GENISSON; Mahmoudi GHODRAT; Afkhami Farhad A et al JOURNAL OF MOLECULAR STRUCTURE DOI 10.1016/j.molstruc.2019.07.045 ISSN 0022-2860	PS Physical and Theoretical Chemistry
2019	Artigo em periódico	Advances and Perspectives in Applying Deep Learning for Drug Design and Discovery Lipinski Celio F; Maltarollo Vinicius G; Oliveira Patricia R; Albérico Borges Ferreira Da SILVA; Honorio Kathia MARIA Frontiers In Robotics And Ai DOI 10.3389/frobt.2019.00108 ISSN 2296-9144	LS Drug Discovery
2019	Artigo em periódico	A Proposal for the Mechanism of the CH + CO 2</sub> Reaction Vichietti Rafael M; Spada Rene F K; Albérico Borges Ferreira Da SILVA; Machado Francisco B C; Haiduke Roberto L A ACS Omega DOI 10.1021/acsomega.9b02530 ISSN 2470-1343	PS Physical and Theoretical Chemistry
2018	Artigo em periódico	Sugar moiety has a synergistic effect on hydroxylated xanthone for better antioxidant activity of mangiferin Da Veiga Andrex Augusto SILVA; De Jesus Chaves Neto Antonio MAIA; Albérico Borges Ferreira Da SILVA; Herculano Anderson MANOEL; Oliveira Karen Renata MATOS et al MEDICINAL CHEMISTRY RESEARCH DOI 10.1007/s00044-018-2147-3 ISSN 1054-2523	HS Biochemistry (medical)
2018	Artigo em periódico	Providing theoretical data for detection of four formamidic acid isomers in astrophysical media Vichietti R M; Albérico Borges Ferreira Da SILVA; Haiduke R L A Molecular Astrophysics DOI 10.1016/j.molap.2018.01.001 ISSN 2405-6758	PS Astronomy and Astrophysics
2018	Artigo em periódico	Implications of the (H2O)n + CO ↔ trans-HCOOH + (H2O)n-1 (n = 1; 2; and 3) reactions for primordial atmospheres of Venus and Earth Vichietti R M; Spada R F K; Albérico Borges Ferreira Da SILVA; Machado F B C; Haiduke R L A MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY DOI 10.1093/mnras/stx3368 ISSN 0035-8711	PS Astronomy and Astrophysics

2023 Artigo em periódico

PS Physical and Theoretical Chemistry

Molecular structure of Ru(II)/diphosphine/4;6-dimethyl-2-pyrimidinethiol complexes: A combined experimental and density functional theory study

JOURNAL OF MOLECULAR STRUCTURE

Lima Benedicto A V; Varela Jaldyr De J G; Ellena JAVIER; Batista Alzir A; Albérico Borges Ferreira Da SILVA et al

DOI ISSN 0022-2860

2023 Artigo em periódico

LS Pharmacology

A PLS study on the psychotropic activity for a series of cannabinoid compounds

JOURNAL OF MOLECULAR MODELING

Chiari Laise P A; Da Silva Aldineia P; Honório Kathia M; Albérico Borges Ferreira Da SILVA

DOI ISSN 1610-2940

2022 Artigo em periódico

LS Biophysics

Examining the Effect of Charged Lipids on Mitochondrial Outer Membrane Dynamics Using Atomistic Simulations

BIOMOLECULES

Oliveira Aline A; Róg TOMASZ; Albérico Borges Ferreira Da SILVA; Amaro Rommie E; Johnson Mark S et al

DOI ISSN 2218-273X

2022 Artigo em periódico

PS Electronic; Optical and Magnetic Materials

Bridging experiment and theory: morphology; optical; electronic; and magnetic properties of MnWO4

APPLIED SURFACE SCIENCE

Assis MARCELO; Tello Ana C M; Abud Fabio S A; Negre PABLO; Ribeiro Lara K et al

DOI ISSN 0169-4332

2022 Artigo em periódico

PS Physical and Theoretical Chemistry

Towards a relationship between photoluminescence emissions and photocatalytic activity of Ag 2</sub> SeO 4</sub> : combining experimental data and theoretical insights

DALTON TRANSACTIONS

Pinatti Ivo M; Tello Ana C M; Pereira Paula F S; Trench Aline B; Teodoro Marcio D et al

DOI ISSN 1477-9226

2022 Artigo em periódico

PS Physical and Theoretical Chemistry

A mechanistic view of the reaction between phosphine and fluorine atom: Insights into PH3F isomers

Computational and Theoretical Chemistry

Viana Rommel B; Savedra Ranylson M L; Albérico Borges Ferreira Da SILVA

DOI ISSN 2210-271X

2021 Artigo em periódico

LS Drug Discovery

A partial least squares and artificial neural network study for a series of arylpiperazines as antidepressant agents

JOURNAL OF MOLECULAR MODELING

Santos Genisson R; Chiari Laise P A; Da Silva Aldineia P; Lipinski Célio F; Oliveira Aline A et al

DOI ISSN 1610-2940

2021 Artigo em periódico

LS Biochemistry

New D2R partial agonist candidates: an in silico approach from statistical models; molecular docking; and ADME/Tox properties

STRUCTURAL CHEMISTRY

Da Silva Aldineia P; Chiari Laise P A; Guimarães Amanda R; Honorio Kathia M; Albérico Borges Ferreira Da SILVA

DOI ISSN 1040-0400

2021 Artigo em periódico

LS Drug Discovery

Drug design of new 5-HT6R antagonists aided by artificial neural networks

JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Da Silva Aldineia P; Chiari Laise P A; Guimaraes Amanda R; Honorio Kathia M; Albérico Borges Ferreira Da SILVA

DOI ISSN 1093-3263

2021 Artigo em periódico

LS Drug Discovery

Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks

JOURNAL OF MOLECULAR STRUCTURE

Chiari Laise P A; Da Silva Aldineia P; De Oliveira Aline A; Lipinski Célio F; Honório Kathia M et al

DOI ISSN 0022-2860

2021 Artigo em periódico

LS Biochemistry; Genetics and Molecular Biology (miscellaneous)

A Theoretical Antioxidant Mechanism for Cytoprotective Effect of p-AcetamideSalicylate Derivatives against Free Radical Initiator AAPH in Human Erythrocytes

JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY

Barros VALÉRIA; Pereira GLAÉCIA; Ota SIRLENE; Melo FERNANDA; De Jesus Ana CAROLINA et al

DOI ISSN 0103-5053

2021 Artigo em periódico

PS Physical and Theoretical Chemistry

Generation; contraction; and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

R Guimarães AMANDA; Barbosa Rugles C; Mora Tello Ana CRISTINA; P Da Silva ALDINEIA; A Alves Júlia M et al

DOI ISSN 1463-9076

2020 Artigo em periódico

PS Physical and Theoretical Chemistry

On polarization functions for Gaussian basis sets

JOURNAL OF MOLECULAR MODELING

Maringolo Milena PALHARES; Tello Ana Cristina MORA; Guimarães Amanda RIBEIRO; Alves Júlia Maria ARAGON; Das Chagas Alves Lima FRANCISCO et al

DOI ISSN 1610-2940

2020 Artigo em periódico

PS Analytical Chemistry

Determination of Tetracycline Using a Graphite-Polyurethane Composite Electrode Modified with a Molecularly Imprinted Polymer

ANALYTICAL LETTERS

Clarindo J E S; Rommel B VIANA; Cervini P; Albérico Borges Ferreira Da SILVA; Eder Tadeu Gomes CAVALHEIRO

DOI ISSN 0003-2719

2020 Artigo em periódico

PS Physical and Theoretical Chemistry

Accurate atomic electron affinities calculated by using anionic Gaussian basis sets

THEORETICAL CHEMISTRY ACCOUNTS

Costa Amaral RAFAEL; Tello Ana C M; Comar MOACYR; Albérico Borges Ferreira Da SILVA

DOI ISSN 1432-881X

2020 Artigo em periódico

LS Drug Discovery

Drug design of new 5-HT6 antagonists: a QSAR study of arylsulfonamide derivatives

STRUCTURAL CHEMISTRY

Da Silva Aldineia P; De Angelo Rafaela M; De Paula HEBERTH; Honório Kathia M; Albérico Borges Ferreira Da SILVA

DOI ISSN 1040-0400

2020 Artigo em periódico

PS Organic Chemistry

New Heteroleptic RuII/Diphosphine Complexes with Cytotoxicity against Human Breast and Murine Ascitic Sarcoma 180 Tumor Cells

JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY

Lima BENEDICTO; Corrêa RODRIGO; Graminha ANGÉLICA; Varela Júnior JALDYR; Albérico Borges Ferreira Da SILVA et al

DOI ISSN 0103-5053

2020 Artigo em periódico

PS Organic Chemistry

Experimental and theoretical study on structure-tautomerism among edaravone; isoxazolone; and their heterocycles derivatives as antioxidants

SAUDI PHARMACEUTICAL JOURNAL

Queiroz Auriekson N; Martins Camila C; Santos Kelton L B; Carvalho Ederson S; Owiti Alex O et al

DOI ISSN 1319-0164

2020 Artigo em periódico

PS Inorganic Chemistry

Microwave-Driven Hexagonal-to-Monoclinic Transition in BiPO 4</sub> : An In-Depth Experimental Investigation and First-Principles Study

INORGANIC CHEMISTRY

Tello Ana C M; Assis MARCELO; Menasce RICARDO; Gouveia Amanda F; Teodoro VINICIUS et al

DOI ISSN 0020-1669

2019 Artigo em periódico

PS Physical and Theoretical Chemistry

Crystal packing of a zinc(II)-azide complex with a N;N;S-tridentate thiosemicarbazone ligand: An experimental and computational study

JOURNAL OF MOLECULAR STRUCTURE

Dos Santos Sinara F F; Oliveira Aline A; R Santos GENISSON; Mahmoudi GHODRAT; Afkhami Farhad A et al

DOI ISSN 0022-2860

2019 Artigo em periódico

LS Drug Discovery

Advances and Perspectives in Applying Deep Learning for Drug Design and Discovery

Frontiers In Robotics And Ai

Lipinski Celio F; Maltarollo Vinicius G; Oliveira Patricia R; Albérico Borges Ferreira Da SILVA; Honorio Kathia MARIA

DOI ISSN 2296-9144

2019 Artigo em periódico

PS Physical and Theoretical Chemistry

A Proposal for the Mechanism of the CH + CO 2</sub> Reaction

ACS Omega

Vichietti Rafael M; Spada Rene F K; Albérico Borges Ferreira Da SILVA; Machado Francisco B C; Haiduke Roberto L A

DOI ISSN 2470-1343

2018 Artigo em periódico

HS Biochemistry (medical)

Sugar moiety has a synergistic effect on hydroxylated xanthone for better antioxidant activity of mangiferin

MEDICINAL CHEMISTRY RESEARCH

Da Veiga Andrex Augusto SILVA; De Jesus Chaves Neto Antonio MAIA; Albérico Borges Ferreira Da SILVA; Herculano Anderson MANOEL; Oliveira Karen Renata MATOS et al

DOI ISSN 1054-2523

2018 Artigo em periódico

PS Astronomy and Astrophysics

Providing theoretical data for detection of four formamidic acid isomers in astrophysical media

Molecular Astrophysics

Vichietti R M; Albérico Borges Ferreira Da SILVA; Haiduke R L A

DOI ISSN 2405-6758

2018 Artigo em periódico

PS Astronomy and Astrophysics

Implications of the (H2O)n + CO ↔ trans-HCOOH + (H2O)n-1 (n = 1; 2; and 3) reactions for primordial atmospheres of Venus and Earth

MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY

Vichietti R M; Spada R F K; Albérico Borges Ferreira Da SILVA; Machado F B C; Haiduke R L A

DOI ISSN 0035-8711