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Molecular description of α‐keto‐based inhibitors of cruzain with activity against Chagas disease combining 3D‐QSAR studies and molecular dynamics.
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- Chemical Biology & Drug Design, 2018, v. 92, n. 2, p. 1475, doi. 10.1111/cbdd.13313
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- Article
Gas‐phase errors affect DFT‐based electrocatalysis models of oxygen reduction to hydrogen peroxide.
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- ChemElectroChem, 2022, v. 9, n. 12, p. 1, doi. 10.1002/celc.202200210
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- Article
Front Cover: Gas‐Phase Errors Affect DFT‐Based Electrocatalysis Models of Oxygen Reduction to Hydrogen Peroxide (ChemElectroChem 11/2022).
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- ChemElectroChem, 2022, v. 9, n. 12, p. 1, doi. 10.1002/celc.202200506
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- Article
Gas‐Phase Errors Affect DFT‐Based Electrocatalysis Models of Oxygen Reduction to Hydrogen Peroxide.
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- ChemElectroChem, 2022, v. 9, n. 12, p. 1, doi. 10.1002/celc.202200210
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- Publication type:
- Article
An electronic point of view on the inhibition of ALK-5 by bioactive candidates related to cancer.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 5, p. 1, doi. 10.1007/s00214-020-02602-2
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- Article
Structure-Based Virtual Screening, Molecular Dynamics and Binding Free Energy Calculations of Hit Candidates as ALK-5 Inhibitors.
- Published in:
- Molecules, 2020, v. 25, n. 2, p. 264, doi. 10.3390/molecules25020264
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- Article