Browsing by Author Freitas, Matheus P.

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Issue DateTitleAuthor(s)
2016A halogen bond does not dictate the conformational preferences of cis-1,3-disubstituted cyclohexanesSilla, Josué M.; Freitas, Matheus P.
Jul-2009Hydrogen bonding and stereoelectronic effects in the conformational isomerism of trans-2-BromocyclohexanolDuarte, Claudimar J.; Freitas, Matheus P.
2014Hydrophobic noncovalent interactions of inosine-phenylalanine: a theoretical model for investigating the molecular recognition of nucleobasesSantos, Lucas A.; Cunha, Elaine F. F. da; Freitas, Matheus P.; Ramalho, Teodorico C.
Feb-2009Improvement of MIA-QSAR analysis by using wavelet-pca ranking variable selection and LS-SVM regression: QSAR study of checkpoint kinase WEE1 inhibitorsCormanich, Rodrigo A.; Goodarzi, Mohammad; Freitas, Matheus P.
Jul-2019Influence of stereoelectronic effects on the 1JC─F spin–spin coupling constant in fluorinated heterocyclic compoundsSilla, Josué M.; Andrade, Laize A. F.; Freitas, Matheus P.
2017Infrared Fingerprints of nN → σ*NH Hyperconjugation in HydrazidesAndrade, Laize A. F.; Silla, Josué M.; Cormanich, Rodrigo A.; Freitas, Matheus P.
2016Interactions affecting 1JC–F SSCCs in neutral and ionic 2-, 3- and 4-fluoro-substituted piperidines: normal and reverse fluorine Perlin-like effectSilla, Josue M.; Freitas, Matheus P.
Apr-2016Interactions fulvate-metal (Zn2+, Cu2+ and Fe2+): theoretical investigation of thermodynamic, structural and spectroscopic propertiesBertoli, Alexandre C.; Garcia, Jerusa S.; Trevisan, Marcello G.; Ramalho, Teodorico C.; Freitas, Matheus P.
5-Aug-2015Intramolecular interactions contributing for the conformational preference of bioactive diphenhydramine: manifestation of the gauche effectRezende, Fátima M.P.de; Andrade, Laize A.F.; Freitas, Matheus P.
2011Investigations on the relationship between extracting (DTPA) solutions and plant (Phaseolus vulgaris) in the uptake of cadmium and lead from latosolsCarvalho, Alexandre V. S.; Carvalho, Ruy; Abreu, Celeste M. P.; Furtini Neto, Antônio E.; Freitas, Matheus P.
2016Is conformation a fundamental descriptor in QSAR? A case for halogenated anestheticsGuimarães, Maria C.; Duarte, Mariene H.; Silla, Josué M.; Freitas, Matheus P.
5-Sep-2015Is molecular alignment an indispensable requirement in the MIA-QSAR method?Barigye, Stephen J.; Freitas, Matheus P.
-Is the bioconformation of 5-deoxy-5-fluoro-D-xylulose affected by intramolecular hydrogen bonds?Guimarães, Maria C.; Silla, Josué M.; Cunha, Elaine Fontes Ferreira da; Ramalho, Teodorico C.; Freitas, Matheus P.
2016Is the bioconformation of 5-deoxy-5-fluoro-D-xylulose affected by intramolecular hydrogen bonds?Guimarães, Maria C.; Silla, Josué M.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; Freitas, Matheus P.
Oct-2011Linear and nonlinear QSAR modeling of the HIV-1 reverse transcriptase inhibiting activities of thiocarbamatesGoodarzi, Mohammad; Freitas, Matheus P.; Heyden, Yvan Vander
2016MIA-plot: a graphical tool for viewing descriptor contributions in MIA-QSARBarigye, Stephen J.; Duarte, Mariene H.; Nunes, Cleiton A.; Freitas, Matheus P.
2011MIA-QSAR coupled to different regression methods for the modeling of antimalarial activities of 2-aziridinyl and 2,3-bis-(aziridinyl)-1,4-naphtoquinonyl sulfate and acylate derivativesGoodarzi, Mohammad; Freitas, Matheus P.
Apr-2010MIA-QSAR coupled to principal component analysis-adaptive neuro-fuzzy inference systems (PCA-ANFIS) for the modeling of the anti-HIV reverse transcriptase activities of TIBO derivativesGoodarzi, Mohammad; Freitas, Matheus P.
Oct-2010MIA-QSAR, PC-Ranking and least-squares support-vector machines in the accurate prediction of the activities of Phosphodiesterase Type 5 (PDE-5) inhibitorsGoodarzi, Mohammad; Freitas, Matheus P.
28-Jun-2011MIA-QSPR and effect of variable selection on the modeling of kinetic parameters related to activities of modified peptides against dengue type 2Silla, Josué M.; Nunes, Cleiton A.; Cormanich, Rodrigo A.; Guerreiro, Mário C.; Ramalho, Teodorico C.; Freitas, Matheus P.