Výsledky vyhledávání

Akademický článek

Quantitative structure-activity relationship and machine learning studies of 2-thiazolylhydrazone derivatives with anti- Cryptococcus neoformans activity.

Autor: Fernandes PO; Departamento de Produtos Farmacêuticos, Faculdade de Farmácia, Universidade Federal de Minas Gerais, Belo Horizonte, Minas Gerais, Brazil., Martins JPA; Departamento de Química, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais, Belo Horizonte, Minas Gerais, Brazil., de Melo EB; Laboratório de Química Medicinal e Ambiental Teórica, Universidade Estadual do Oeste do Paraná, Cascavel, Paraná, Brazil., de Oliveira RB; Departamento de Produtos Farmacêuticos, Faculdade de Farmácia, Universidade Federal de Minas Gerais, Belo Horizonte, Minas Gerais, Brazil., Kronenberger T; Department of Pneumonology and Oncology, Internal Medicine VIII, University Hospital of Tübingen, Tübingen, Baden-Württemberg, Germany., Maltarollo VG; Departamento de Produtos Farmacêuticos, Faculdade de Farmácia, Universidade Federal de Minas Gerais, Belo Horizonte, Minas Gerais, Brazil.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2022; Vol. 40 (20), pp. 9789-9800. Date of Electronic Publication: 2021 Jun 14.

Zobrazit plný text záznamu

Akademický článek

SMILES-based 2D-QSAR and similarity search for identification of potential new scaffolds for development of SARS-CoV-2 MPRO inhibitors.

Autor: Costa AS; Theoretical Medicinal and Environmental Chemistry Laboratory (LQMAT), Department of Pharmacy, Western Paraná State University (UNIOESTE), 2069 Universitária St, Cascavel, Paraná, 85819-110 Brazil., Martins JPA; Departamento de Química, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais (UFMG), 6627 Antônio Carlos Avenue, Belo Horizonte, Minas Gerais, 31270-901 Brazil., de Melo EB; Theoretical Medicinal and Environmental Chemistry Laboratory (LQMAT), Department of Pharmacy, Western Paraná State University (UNIOESTE), 2069 Universitária St, Cascavel, Paraná, 85819-110 Brazil.

Publikováno v: Structural chemistry [Struct Chem] 2022; Vol. 33 (5), pp. 1691-1706. Date of Electronic Publication: 2022 Jul 06.

Zobrazit plný text záznamu

Akademický článek

Molecular insights on ABL kinase activation using tree-based machine learning models and molecular docking.

Autor: Fernandes PO; Departamento de Produtos Farmacêuticos, Faculdade de Farmácia, Universidade Federal de Minas Gerais, Belo Horizonte, MG, Brazil., Martins DM; Departamento de Química, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais, Belo Horizonte, MG, Brazil., de Souza Bozzi A; Departamento de Química, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais, Belo Horizonte, MG, Brazil., Martins JPA; Departamento de Química, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais, Belo Horizonte, MG, Brazil., de Moraes AH; Departamento de Química, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais, Belo Horizonte, MG, Brazil., Maltarollo VG; Departamento de Produtos Farmacêuticos, Faculdade de Farmácia, Universidade Federal de Minas Gerais, Belo Horizonte, MG, Brazil. maltarollo@ufmg.br.

Publikováno v: Molecular diversity [Mol Divers] 2021 Aug; Vol. 25 (3), pp. 1301-1314. Date of Electronic Publication: 2021 Jun 30.

Zobrazit plný text záznamu

Akademický článek

Dynamics of binary mixtures of an ionic liquid and ethanol by NMR.

Autor: Ordikhani Seyedlar A; Department of Technical Physics II/Polymer Physics, Institute of Physics, Ilmenau University of Technology, Ilmenau, D-98684, Germany., Martins JPA; Centre of Physics and Engineering of Advanced Materials, Instituto Superior Técnico, Universidade de Lisboa, Lisbon, Portugal., Sebastião PJ; Centre of Physics and Engineering of Advanced Materials, Instituto Superior Técnico, Universidade de Lisboa, Lisbon, Portugal., Jardim Beira MJ; Centre of Physics and Engineering of Advanced Materials, Instituto Superior Técnico, Universidade de Lisboa, Lisbon, Portugal., Stapf S; Department of Technical Physics II/Polymer Physics, Institute of Physics, Ilmenau University of Technology, Ilmenau, D-98684, Germany., Vaca Chávez F; FAMAF - Universidad Nacional de Córdoba & IFEG-CONICET, Córdoba, Argentina., Mattea C; Department of Technical Physics II/Polymer Physics, Institute of Physics, Ilmenau University of Technology, Ilmenau, D-98684, Germany.

Publikováno v: Magnetic resonance in chemistry : MRC [Magn Reson Chem] 2018 Feb; Vol. 56 (2), pp. 108-112. Date of Electronic Publication: 2017 Jul 10.

Zobrazit plný text záznamu

Plný text ve formátu HTML