Oxford University, Structural Bioinformatics & Computational Biochemistry Unit

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Maira Fresqui

Structural Bioinformatics and Computational Biochemistry Unit Dept. of Biochemistry University of Oxford South Parks Road Oxford OX1 3QU U.K. Telephone: 01865 613304 Fax: 01865 613238 e-mail: maira.fresqui@bioch.ox.ac.uk


Background
I have been working in the area of computational chemistry since my undergraduate year. During my studies I got a strong background in computational and theoretical chemistry. I have been focusing on drug design in an academic environment by applying quantum chemistry and chemometrics methods in drug discovery and improved my knowledge in the field of computational chemistry. During my PhD I worked with antidepressant, anti-Parkinson and Anti-Alzheimer compounds from different computational strategies like electronic structure, drug-receptor interaction and by applying modern and advanced chemometrics techniques of variable selection and model validation. I also successfully supervised undergraduate and graduate students.
Research
I am currently working with homology model and molecular dynamic (MD) simulation of GluCl ion channel. In addition, explore receptor-ligand interaction of an anthelmintic compounds using both docking and MD simulation is an important step of my research. The work is founded by Science without Borders - CNPq
Publications
Scientific Publication Fresqui, M.A.C., Ferreira, M.M.C., Trsic, M. The influence of R and S Configurations of a Series of Amphetamine Derivatives in QSAR Models. Analytica Chimica Acta, v. 759, p.43-52, 2013.Link Book Fresqui, M.A.C., Trsic, M. Curso de Quimica para engenharia Volume 1: Energia (Chemistry Course for Engineering Students Volume 1: Energy) Editora Manole Ltda. ISBN: 978-85-204-3328-7, 2012. Fresqui, M.A.C., Trsic, M.; Pawlicka, A. Curso de Quimica para engenharia Volume2: Materiais (Chemistry Course for Engineering Students Volume 2: Materials.) Editora Manole Ltda. ISBN: 978-85-204-3326-3. 2013.

Last updated 16 May 2013