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Material Type: Artigo
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Chemoinformatics strategies for leishmaniasis drug discoveryLeonardo Luiz Gomes Ferreira Adriano Defini AndricopuloFrontiers in Pharmacology Lausanne : Frontiers Research Foundation v. 9, p. 1278-1-1278-11, Nov. 2018Lausanne 2018Localização: IFSC - Inst. Física de São Carlos (PROD028095 )(Acessar) |
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Material Type: Artigo
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Chemoinformatics approaches to structure- and ligand-based drug design. [Editorial]Leonardo Luiz Gomes Ferreira Adriano Defini AndricopuloFrontiers in Pharmacology Lausanne : Frontiers Research Foundation v. 9, p. 1416-1-1416-2, Dec. 2018Lausanne 2018Localização: IFSC - Inst. Física de São Carlos (PROD028371 )(Acessar) |
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Material Type: Artigo
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Chemoinformatics approaches to structure- and ligand-based drug design, volume II. [Editorial]Leonardo Luiz Gomes Ferreira Adriano Defini AndricopuloFrontiers in Pharmacology Lausanne v. 13, p. 945747-1-945747-3, June 2022Lausanne 2022Localização: IFSC - Inst. Física de São Carlos (PROD033263 )(Acessar) |
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Material Type: Artigo
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Multiparameter optimization of Trypanocidal cruzain inhibitors with in vivo activity and favorable pharmacokineticsIvani Pauli Celso de Oliveira Rezende Junior; Brian W Slafer; Marco A Dessoy; Mariana Laureano de Souza; Leonardo Luiz Gomes Ferreira; Abraham L. M Adjanohun; Rafaela S Ferreira; Luma Godoy Magalhães; Renata Krogh Andricopulo; Simone Michelan Duarte; Ricardo Vaz Del Pintor; Fernando B. R. da Silva; Fabio C Cruz; Luiz C Dias; Adriano Defini AndricopuloFrontiers in Pharmacology Lausanne v. 12, p. 774069-1-774069-21 + supplementary material, Jan. 2022Lausanne 2022Localização: IFSC - Inst. Física de São Carlos (PROD032730 )(Acessar) |
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Material Type: Artigo
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Decoys Selection in Benchmarking Datasets: Overview and PerspectivesRéau, Manon ; Langenfeld, Florent ; Zagury, Jean-François ; Lagarde, Nathalie ; Montes, MatthieuFrontiers in pharmacology, 2018-01, Vol.9, p.11-11 [Periódico revisado por pares]Switzerland: Frontiers Research FoundationTexto completo disponível |
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Material Type: Artigo
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On the Integration of In Silico Drug Design Methods for Drug RepurposingMarch-Vila, Eric ; Pinzi, Luca ; Sturm, Noé ; Tinivella, Annachiara ; Engkvist, Ola ; Chen, Hongming ; Rastelli, GiulioFrontiers in pharmacology, 2017-05, Vol.8, p.298-298 [Periódico revisado por pares]Switzerland: Frontiers Media S.ATexto completo disponível |
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Material Type: Artigo
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Design of a multi-target focused library for antidiabetic targets using a comprehensive set of chemical transformation rulesSaldívar-González, Fernanda I. ; Navarrete-Vázquez, Gabriel ; Medina-Franco, José L.Frontiers in pharmacology, 2023-11, Vol.14, p.1276444-1276444 [Periódico revisado por pares]Frontiers Media S.ATexto completo disponível |
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Material Type: Artigo
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Exploring G Protein-Coupled Receptors (GPCRs) Ligand Space via Cheminformatics Approaches: Impact on Rational Drug DesignBasith, Shaherin ; Cui, Minghua ; Macalino, Stephani J Y ; Park, Jongmi ; Clavio, Nina A B ; Kang, Soosung ; Choi, SunFrontiers in pharmacology, 2018-03, Vol.9, p.128-128 [Periódico revisado por pares]Switzerland: Frontiers Research FoundationTexto completo disponível |
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Material Type: Artigo
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Application of SMILES-based molecular generative model in new drug designKong, Weiya ; Hu, Yuejuan ; Zhang, Jiao ; Tan, QiaoyinFrontiers in pharmacology, 2022-10, Vol.13, p.1046524-1046524 [Periódico revisado por pares]Frontiers Media S.ATexto completo disponível |
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Material Type: Artigo
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QSAR-Based Virtual Screening: Advances and Applications in Drug DiscoveryNeves, Bruno J ; Braga, Rodolpho C ; Melo-Filho, Cleber C ; Moreira-Filho, José Teófilo ; Muratov, Eugene N ; Andrade, Carolina HortaFrontiers in pharmacology, 2018-11, Vol.9, p.1275-1275 [Periódico revisado por pares]Switzerland: Frontiers Research FoundationTexto completo disponível |