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AKT Inhibitors: The Road Ahead to Computational Modeling-Guided DiscoveryHalder, Amit Kumar ; Cordeiro, M Natália D SInternational journal of molecular sciences, 2021-04, Vol.22 (8), p.3944 [Periódico revisado por pares]Switzerland: MDPI AGTexto completo disponível |
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Interaction of Coumarin Phytoestrogens with ER α and ER β : A Molecular Dynamics Simulation StudyWang, Ting ; Wang, Yunfei ; Zhuang, Xuming ; Luan, Feng ; Zhao, Chunyan ; Cordeiro, M Natália D SMolecules (Basel, Switzerland), 2020-03, Vol.25 (5), p.1165 [Periódico revisado por pares]Switzerland: MDPI AGTexto completo disponível |
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Material Type: Artigo
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Molecular simulations of interfacial systems: challenges, applications and future perspectivesLbadaoui-Darvas, Mária ; Garberoglio, Giovanni ; Karadima, Katerina S. ; Cordeiro, M. Natália D. S. ; Nenes, Athanasios ; Takahama, SatoshiMolecular simulation, 2023-08, Vol.49 (12), p.1229-1266 [Periódico revisado por pares]Abingdon: Taylor & FrancisTexto completo disponível |
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Material Type: Artigo
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Cellular Consequences of Coenzyme Q10 Deficiency in Neurodegeneration of the Retina and BrainManzar, Haider ; Abdulhussein, Dalia ; Yap, Timothy E ; Cordeiro, M FrancescaInternational journal of molecular sciences, 2020-12, Vol.21 (23), p.9299 [Periódico revisado por pares]Switzerland: MDPI AGTexto completo disponível |
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Development of Multi-Target Chemometric Models for the Inhibition of Class I PI3K Enzyme Isoforms: A Case Study Using QSAR-Co ToolHalder, Amit Kumar ; Cordeiro, M Natália Dias SoeiroInternational journal of molecular sciences, 2019-08, Vol.20 (17), p.4191 [Periódico revisado por pares]Switzerland: MDPI AGTexto completo disponível |
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Material Type: Artigo
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Unravelling the Interactions of Magnetic Ionic Liquids by Energy Decomposition Schemes: Towards a Transferable Polarizable Force FieldGonzález-Veloso, Iván ; Figueiredo, Nádia M. ; Cordeiro, M. Natália D. S.Molecules (Basel, Switzerland), 2021-09, Vol.26 (18), p.5526 [Periódico revisado por pares]Basel: MDPI AGTexto completo disponível |
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Material Type: Artigo
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Theoretical insights on helix repacking as the origin of P-glycoprotein promiscuityBonito, Cátia A ; Ferreira, Ricardo J ; Ferreira, Maria-José U ; Gillet, Jean-Pierre ; Cordeiro, M Natália D S ; Dos Santos, Daniel J V AScientific reports, 2020-06, Vol.10 (1), p.9823, Article 9823 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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Looking for New Inhibitors for the Epidermal Growth Factor ReceptorConcu, Riccardo ; Cordeiro, M. Natalia D.S.Current topics in medicinal chemistry, 2018-01, Vol.18 (3), p.219-232 [Periódico revisado por pares]Sharjah: Bentham Science Publishers LtdTexto completo disponível |
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Material Type: Artigo
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Role of Ligand-Based Drug Design Methodologies toward the Discovery of New Anti- Alzheimer Agents: Futures Perspectives in Fragment-Based Ligand DesignSPECK-PLANCHE, A ; LUAN, F ; CORDEIRO, M. N. D. SCurrent medicinal chemistry, 2012-04, Vol.19 (11), p.1635-1645 [Periódico revisado por pares]Oak Park, IL: Bentham Science Publishers LtdTexto completo disponível |
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Material Type: Artigo
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Agarose-based structured optical fibreFujiwara, Eric ; Cabral, Thiago D ; Sato, Miko ; Oku, Hiromasa ; Cordeiro, Cristiano M BScientific reports, 2020-04, Vol.10 (1), p.7035-7035, Article 7035 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |