Laura Domicevica

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: laura.domicevica@bioch.ox.ac.uk

Atomistic molecular dynamics simulations of P-glycoprotein
Research
My project focuses on P-glycoprotein, the main cause in multi-drug resistance in cancer and efflux mechanism for many clinically important substrates, using molecular simulation methodologies to research the aspects of CNS-type drug interactions with P-glycoprotein and lipid bilayer. Investigation of how inhibitors and substrates are accessing P-glycoprotein can be of particular pharmaceutical importance, as it could help to understand why a specific drug will be effluxed by P-gp or transported over blood-brain-barrier. The research is supervised by Dr Phillip Biggin. This project is funded by NC3Rs (National Centre for the Replacement, Refinement and Reduction of Animals in Research).
Publications
Domicevica, L., Biggin, P.C. (2015). Homology modelling of human P-glycoprotein Biochemical Society Transactions, 43(5),952-958 Ma, J. Domicevica, L. , Schnell, J.R & Biggin, P.C. (2015). Position and orientational preferences of drug-like compounds in lipid membranes: a computational and NMR approach Physical Chemistry Chemical Physics, 17, 19766-19776

Last updated &&/&&/07

Atomistic molecular dynamics simulations of P-glycoprotein