Navegando por Autor Freitas, Matheus P.

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Mar-2012F...HO intramolecular hydrogen bond forming five-membered rings hardly appears in monocyclic organofluorine compoundsCormanich, Rodrigo A.; Freitas, Matheus P.; Tormena, Cláudio F.; Rittner, Roberto
Abr-2009Feature selection and linear/non-linear regression methods for the accurate prediction of glycogen synthase kinase-3β inhibitory activitiesGoodarzi, Mohammad; Freitas, Matheus P.; Jensen, Richard
Ago-2012F···HO as the main transmission mechanism for 1hJF,H(O) coupling constant in 2'-fluoroflavonolFonseca, Tânia A. O.; Ramalho, Teodorico C.; Freitas, Matheus P.
30-Dez-2013Gauche preference of β-fluoroalkyl ammonium saltsSilla, Josué M.; Silva, Weslley G. D. P.; Cormanich, Rodrigo A.; Rittner, Roberto; Tormena, Cláudio F.; Freitas, Matheus P.
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.
Fev-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.
3-Ago-2022In silico interactions of the components from the Schinus terebinthifolius extract with human TyrosinaseBezerra, Julia N.; Spadeto, João Paulo M.; Daré, Joyce K.; Almeida, Wanda Pereira; Freitas, Matheus P.; Cormanich, Rodrigo A.
Nov-2022In silico modeling of the AHAS inhibition of an augmented series of pyrimidine herbicides and design of novel derivativesFaria, Adriana C. de; Daré, Joyce K.; Cunha, Elaine F. F. da; Freitas, Matheus P.
Jun-2022In silico-guided proposition of potential nematocidal and antibacterial N-(1,3,4-thiadiazol-2-yl)benzamidesLicona, Jessica S. F.; Pereira, Ingrid V.; Faria, Adriana C. de; Daré, Joyce K.; Cunha, Elaine F. F. da; 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.
Abr-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-Ago-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.
19-Ago-2022Iodine gauche effect induced by an intramolecular hydrogen bondMartins, Francisco A.; Santos, Lucas de Azevedo; Silva, Daniela Rodrigues; Guerra, Célia Fonseca; Bickelhaupt, F. Matthias; 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-Set-2015Is molecular alignment an indispensable requirement in the MIA-QSAR method?Barigye, Stephen J.; Freitas, Matheus P.