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1
Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase molecular docking and 3D QSAR studies
Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase molecular docking and 3D QSAR studies
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Artigo 		Adicionar ao Meu Espaço

Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase molecular docking and 3D QSAR studies

Rafael V. C. Guido Glaucius Oliva; Carlos Alberto Montanari; Adriano Defini Andricopulo

Journal of Chemical Information and Modeling American Chemical Society v. 48, n. 4, p. 918-929, Apr. 2008

Washington, DC 2008

Localização: IFSC - Inst. Física de São Carlos    (PROD014713 ) e outros locais(Acessar)

2
Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase molecular docking and 3D QSAR studies
Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase molecular docking and 3D QSAR studies
Material Type:
Artigo 		Adicionar ao Meu Espaço

Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase molecular docking and 3D QSAR studies

Rafael V. C. Guido Glaucius Oliva; Carlos Alberto Montanari; Adriano Defini Andricopulo

Journal of Chemical Information and Modeling American Chemical Society v. 48, n. 4, p. 918-929, Apr. 2008

Washington, DC 2008

Localização: IFSC - Inst. Física de São Carlos    (PROD014713 ) e outros locais(Acessar)

3
Discovery of new inhibitors of Schistosoma mansoni PNP by pharmacophore-based virtual screening
Discovery of new inhibitors of Schistosoma mansoni PNP by pharmacophore-based virtual screening
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Discovery of new inhibitors of Schistosoma mansoni PNP by pharmacophore-based virtual screening

Matheus P. Postigo Rafael Victorio Carvalho Guido; Glaucius Oliva; Marcelo S Castilho; Ivan R Pitta; Julianna F. C. de Albuquerque; Adriano Defini Andricopulo

Journal of Chemical Information and Modeling Washington, DC : American Chemical Society - ACS v. 50, n. 9, p. 1693-1705, Sept. 2010

Washington, DC 2010

Localização: IFSC - Inst. Física de São Carlos    (PROD017287 )(Acessar)

4
Discovery of new inhibitors of Schistosoma mansoni PNP by pharmacophore-based virtual screening
Discovery of new inhibitors of Schistosoma mansoni PNP by pharmacophore-based virtual screening
Material Type:
Artigo 		Adicionar ao Meu Espaço

Discovery of new inhibitors of Schistosoma mansoni PNP by pharmacophore-based virtual screening

Matheus P. Postigo Rafael Victorio Carvalho Guido; Glaucius Oliva; Marcelo S Castilho; Ivan R Pitta; Julianna F. C. de Albuquerque; Adriano Defini Andricopulo

Journal of Chemical Information and Modeling Washington, DC : American Chemical Society - ACS v. 50, n. 9, p. 1693-1705, Sept. 2010

Washington, DC 2010

Localização: IFSC - Inst. Física de São Carlos    (PROD017287 )(Acessar)

5
Development of machine learning models and the discovery of a new antiviral compound against yellow fever virus
Development of machine learning models and the discovery of a new antiviral compound against yellow fever virus
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Development of machine learning models and the discovery of a new antiviral compound against yellow fever virus

Victor Gawriljuk Ferraro Oliveira Daniel H Foil; Ana C Puhl; Kimberley M Zorn; Thomas R Lane; Olga Riabova; Vadim Makarov; Andre Schutzer de Godoy; Glaucius Oliva; Sean Ekins

Journal of Chemical Information and Modeling Washington, DC v. 61, n. 8, p. 3804-3813, Aug. 2021

Washington, DC 2021

Localização: IFSC - Inst. Física de São Carlos    (PROD031888 )(Acessar)

6
Discovery of potent, reversible, and competitive cruzain inhibitors with trypanocidal activity a structure-based drug design approach
Discovery of potent, reversible, and competitive cruzain inhibitors with trypanocidal activity a structure-based drug design approach
Material Type:
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Discovery of potent, reversible, and competitive cruzain inhibitors with trypanocidal activity a structure-based drug design approach

Mariana Laureano de Souza Celso de Oliveira Rezende Junior; Rafaela S Ferreira; Rocio Marisol Espinoza Chávez; Leonardo Luiz Gomes Ferreira; Brian W Slafer; Luma Godoy Magalhães; Renata Krogh Andricopulo; Glaucius Oliva; Fabio Cardoso Cruz; Luiz Carlos Dias; Adriano Defini Andricopulo

Journal of Chemical Information and Modeling Washington, DC : American Chemical Society - ACS v. 60, n. 2, p. 1028-1041, Feb. 2020

Washington, DC 2020

Localização: IFSC - Inst. Física de São Carlos    (PROD030037 )(Acessar)

7
Machine learning models identify inhibitors of SARS-CoV2
Machine learning models identify inhibitors of SARS-CoV2
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Machine learning models identify inhibitors of SARS-CoV2

Victor Gawriljuk Ferraro Oliveira Phyo Phyo Kyaw Zin; Ana C Puhl; Kimberley M Zorn; Daniel H Foil; Thomas R Lane; Brett Hurst; Tatyana Almeida Tavella; Fabio Trindade Maranhão Costa; Premkumar Lakshmanane; Jean Bernatchez; Andre Schutzer de Godoy; Glaucius Oliva; Jair L Siqueira-Neto; Peter B Madrid; Sean Ekins

Journal of Chemical Information and Modeling Washington, DC v. 61, n. 9, p. 4224-4235, Sept. 2021

Washington, DC 2021

Localização: IFSC - Inst. Física de São Carlos    (PROD032053 )(Acessar)

8
Discovery of new Zika protease and polymerase inhibitors through the open science collaboration Project OpenZika
Discovery of new Zika protease and polymerase inhibitors through the open science collaboration Project OpenZika
Material Type:
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Discovery of new Zika protease and polymerase inhibitors through the open science collaboration Project OpenZika

Melina Mottin Bruna Katiele de Paula Sousa; Nathalya Cristina de Moraes Roso Mesquita; Ketllyn Irene Zagato de Oliveira; Gabriela Dias Noske; Geraldo Rodrigues Sartori; Aline de Oliveira Albuquerque; Fabio Urbina; Ana C Puhl; José Teófilo Moreira Filho; Guilherme Eduardo de Souza; Rafael Victorio Carvalho Guido; Eugene Muratov; Bruno Junior Neves; João Hermínio Martins da Silva; Alex E Clark; Jair L Siqueira Neto; Alexander L Perryman; Glaucius Oliva; Sean Ekins; Carolina Horta Andrade

Journal of Chemical Information and Modeling Washington, DC v. 62, n. 24, p. 6825-6843, Dec. 2022

Washington, DC 2022

Localização: IFSC - Inst. Física de São Carlos    (PROD033817 )(Acessar)

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