Molecc
Especial UFLA - Dia do Pesquisador
A ciência está no nosso dia a dia. Do alimento que consumimos às tecnologias digitais, a produção científica tem seu papel essencial.
top of page
PUBLICATIONS
Books
Molecc has as primary objective to spearhead research in the fields of theoretical chemistry, organic and inorganic physical chemistry, working at boundaries of knowledge in a multidisciplinary set-up and dealing specifically with the development of new lead compounds of therapeutic interest and agrochemicals (QSAR ), molecular modeling of macromolecules, conformational analysis, computational catalysis, development of tools for the computation and prediction of theoretical spectroscopic parameters, with the aim of reconciling theory and practice. This research line also addresses challenges ranging from technological to basic science problems, for example, in the study of thermal and solvation effects on spectroscopic properties. This diversity of issues addressed remits to us a wide variety of theoretical methods. In fact, we have used in-house and commercial computational codes.
Specials
Search
Molecc
8 de Julho - Dia do Pesquisador
Conversamos com o pró-reitor de Pesquisa da #UFLA, professor Teodorico Ramalho, que falou sobre a importância da divulgação científica,...
Molecc
A importância da iniciação científica
A ciência no Brasil é movida, majoritariamente, pelas instituições públicas. Por isso, o investimento nas pesquisas e no corpo...
Molecc
Discrete Fourier Transform-Based Multivariate Image Analysis
Application to Modeling of Aromatase Inhibitory Activity Stephen J. Barigye*† , Matheus P. Freitas‡ , Priscila Ausina∥, Patricia Zancan§,...
Molecc
Solution conformations...
...for the flexible 1-chloro-1,1-difluoro-2-pentanol unveiled using multinuclear magnetic resonance. Francisco A.Martins *a Lucas A.Zeoly...
Molecc
Multi-objective Optimization of Benzamide Derivatives as Rho Kinase Inhibitors
by Giovanna Cardoso Gajo, Daniela Rodrigues Silva, Stephen J. Barigye, Elaine Fontes Ferreira da Cunha - Department of Chemistry (DQI),...
Molecc
Science of The Total Environment
Identification of biotransformation products of disperse dyes with rat liver microsomes by LC-MS/MS and theoretical studies with DNA:...
bottom of page