Welcome to the Tvaroska ComputerLab
Our group is interested in applications of computational methods on problems in carbohydrate chemistry, biochemistry, nanoscience and structure-based drug design. Main progress was done in understanding mechanisms of inverting and retaining glycosyltransferases by means of the QM and hybrid QM/MM methods, and in structure-based design of potential transition-state analogs for glycosyltransferases and glycosylhydrolases.
148. PEGylated nanoparticles bind to and alter amyloid-Beta peptide conformation: TowardeEngineering of functional nanomedicines for alzheimer's disease, D. Brambilla, R. Verpillot, B. Le Droumaguet, J. Nicolas, M. Taverna, J. Kona, S. H. Hashemi, B. Lettiero, L. De Kimpe, M. Gobbi, V. Nicolas, W. Scheper, S. M. Moghimi, I. Tvaroska, P. Couvreur, K. Andrieux, ACS Nano, 2012, 6, 5897-5908.
147. Binding of beta-amyloid (1-42) peptide to negatively charged phospholipid membranes in the liquid-ordered state: Modeling and experimental studies, H. Ahyayauch, M. Raab, J. V. Busto, N. Andraka, J. L. R. Arrondo, M. Masserini, I. Tvaroska, F. M. Goni, Biophys. J., 2012, 103, 453-463.
145. alpha-D-Mannose derivatives as models designed for selective inhibition of Golgi alpha-mannosidase II, M. Polakova, S. Sestak, E. Lattova, L. Petrus, J. Mucha, I. Tvaroska, J. Kona, Eur. J. Med. Chem., 2011, 46, 944-952.