Generation, contraction, and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl
Guimarães, Amanda, Barbosa, Rugles C, Mora Tello, Ana Cristina, da Silva, Aldineia, Alves, Júlia M, Palhares Maringolo, Milena, da Silva, Albérico
Published in Physical chemistry chemical physics : PCCP (12.08.2021)
Published in Physical chemistry chemical physics : PCCP (12.08.2021)
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Journal Article
Predicting biological activity and design of 5-HT6 antagonists through assessment of ANN-QSAR models in the context of Alzheimer’s disease
de Sousa, Daniel S., da Silva, Aldineia P., Chiari, Laise P. A., de Angelo, Rafaela M., de Sousa, Alexsandro G., Honorio, Kathia M., da Silva, Albérico B. F.
Published in Journal of molecular modeling (01.10.2024)
Published in Journal of molecular modeling (01.10.2024)
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Journal Article
A partial least squares and artificial neural network study for a series of arylpiperazines as antidepressant agents
Santos, Genisson R., Chiari, Laise P. A., da Silva, Aldineia P., Lipinski, Célio F., Oliveira, Aline A., Honorio, Kathia M., de Sousa, Alexsandro Gama, da Silva, Albérico B. F.
Published in Journal of molecular modeling (01.10.2021)
Published in Journal of molecular modeling (01.10.2021)
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Journal Article
New D2R partial agonist candidates: an in silico approach from statistical models, molecular docking, and ADME/Tox properties
da Silva, Aldineia P., Chiari, Laise P. A., Guimarães, Amanda R., Honorio, Kathia M., da Silva, Albérico B. F.
Published in Structural chemistry (2021)
Published in Structural chemistry (2021)
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Journal Article
Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks
Chiari, Laise P.A., da Silva, Aldineia P., de Oliveira, Aline A., Lipinski, Célio F., Honório, Kathia M., da Silva, Albérico B.F.
Published in Journal of molecular structure (05.01.2021)
Published in Journal of molecular structure (05.01.2021)
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Journal Article
Predicting biological activity and design of 5-HT 6 antagonists through assessment of ANN-QSAR models in the context of Alzheimer's disease
de Sousa, Daniel S, da Silva, Aldineia P, Chiari, Laise P A, de Angelo, Rafaela M, de Sousa, Alexsandro G, Honorio, Kathia M, da Silva, Albérico B F
Published in Journal of molecular modeling (26.09.2024)
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Published in Journal of molecular modeling (26.09.2024)
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