Examining the Effect of Charged Lipids on Mitochondrial Outer Membrane Dynamics Using Atomistic Simulations
Oliveira, Aline A, Róg, Tomasz, da Silva, Albérico B F, Amaro, Rommie E, Johnson, Mark S, Postila, Pekka A
Published in Biomolecules (Basel, Switzerland) (22.01.2022)
Published in Biomolecules (Basel, Switzerland) (22.01.2022)
Get full text
Journal Article
Molecular features related to HIV integrase inhibition obtained from structure- and ligand-based approaches
de Carvalho, Luciana L, Maltarollo, Vinícius G, de Lima, Emmanuela Ferreira, Weber, Karen C, Honorio, Kathia M, da Silva, Albérico B F
Published in PloS one (08.01.2014)
Published in PloS one (08.01.2014)
Get full text
Journal Article
A Proposal for the Mechanism of the CH + CO2 Reaction
Vichietti, Rafael M, Spada, Rene F. K, da Silva, Albérico B. F, Machado, Francisco B. C, Haiduke, Roberto L. A
Published in ACS omega (29.10.2019)
Published in ACS omega (29.10.2019)
Get full text
Journal Article
Understanding the molecular aspects of tetrahydrocannabinol and cannabidiol as antioxidants
Borges, Rosivaldo S, Batista, Jr, João, Viana, Rommel B, Baetas, Ana C, Orestes, Ednilsom, Andrade, Marcieni A, Honório, Káthia M, da Silva, Albérico B F
Published in Molecules (Basel, Switzerland) (14.10.2013)
Published in Molecules (Basel, Switzerland) (14.10.2013)
Get full text
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)
Get full text
Journal Article
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)
Get full text
Journal Article
Antioxidant capacity of simplified oxygen heterocycles and proposed derivatives by theoretical calculations
Borges, Rosivaldo S., Aguiar, Christiane P. O., Oliveira, Nicole L. L., Amaral, Israel N. A., Vale, Joyce K. L., Chaves Neto, Antonio M. J., Queiroz, Auriekson N., da Silva, Albérico B. F.
Published in Journal of molecular modeling (01.08.2023)
Published in Journal of molecular modeling (01.08.2023)
Get full text
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)
Get full text
Journal Article
Non-peptidic cruzain inhibitors with trypanocidal activity discovered by virtual screening and in vitro assay
Wiggers, Helton J, Rocha, Josmar R, Fernandes, William B, Sesti-Costa, Renata, Carneiro, Zumira A, Cheleski, Juliana, da Silva, Albérico B F, Juliano, Luiz, Cezari, Maria H S, Silva, João S, McKerrow, James H, Montanari, Carlos A
Published in PLoS neglected tropical diseases (01.08.2013)
Published in PLoS neglected tropical diseases (01.08.2013)
Get full text
Journal Article
New consensus multivariate models based on PLS and ANN studies of sigma-1 receptor antagonists
Oliveira, Aline A., Lipinski, Célio F., Pereira, Estevão B., Honorio, Kathia M., Oliveira, Patrícia R., Weber, Karen C., Romero, Roseli A. F., de Sousa, Alexsandro G., da Silva, Albérico B. F.
Published in Journal of molecular modeling (01.10.2017)
Published in Journal of molecular modeling (01.10.2017)
Get full text
Journal Article
Density functional theory (DFT) study of edaravone derivatives as antioxidants
Borges, Rosivaldo S, Queiroz, Auriekson N, Mendes, Anna P S, Araújo, Sanderson C, França, Luiz C S, Franco, Edna C S, Leal, Walace G, da Silva, Albérico B F
Published in International journal of molecular sciences (01.06.2012)
Published in International journal of molecular sciences (01.06.2012)
Get full text
Journal Article
Towards a relationship between photoluminescence emissions and photocatalytic activity of Ag2SeO4: combining experimental data and theoretical insights
Pinatti, Ivo M, Tello, Ana C M, Pereira, Paula F S, Trench, Aline B, Teodoro, Marcio D, Rosa, Ieda L V, Albérico B F da Silva, Longo, Elson, Andrés, Juan, Simões, Alexandre Z
Published in Dalton transactions : an international journal of inorganic chemistry (02.08.2022)
Published in Dalton transactions : an international journal of inorganic chemistry (02.08.2022)
Get full text
Journal Article
Infrared Spectroscopy of Anionic, Cationic, and Zwitterionic Surfactants
Viana, Rommel B., da Silva, Albérico B. F., Pimentel, André Silva
Published in Advances in Physical Chemistry (01.01.2012)
Published in Advances in Physical Chemistry (01.01.2012)
Get full text
Journal Article
Accurate relativistic adapted Gaussian basis sets for Cesium through Radon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models
Haiduke, Roberto L. A., Da Silva, Albérico B. F.
Published in Journal of computational chemistry (01.12.2006)
Published in Journal of computational chemistry (01.12.2006)
Get full text
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)
Get full text
Journal Article
A Study on the Antipicornavirus Activity of Flavonoid Compounds (Flavones) by Using Quantum Chemical and Chemometric Methods
Souza, Jaime, Molfetta, Fábio A, Honório, Káthia M, Santos, Regina H. A, da Silva, Albérico B. F
Published in Journal of Chemical Information and Computer Sciences (01.05.2004)
Published in Journal of Chemical Information and Computer Sciences (01.05.2004)
Get full text
Journal Article
Photodynamic Efficiency of Xanthene Dyes and Their Phototoxicity against a Carcinoma Cell Line: A Computational and Experimental Study
da Silva, Albérico B. F., Viana, Rommel B., Imasato, Hidetake, Homem-de-Mello, Paula, Orestes, Ednilson, Bettanin, Fernanda, Buck, Suelen T. G., Perussi, Janice R.
Published in Journal of chemistry (01.01.2017)
Published in Journal of chemistry (01.01.2017)
Get full text
Journal Article