News and Events
Members of The Unilever Centre for Molecular Science Informatics within the Department have published two of the most read articles in the Journal of Chemical Information and Modelling for 2012.
The two papers were:
Recognizing Pitfalls in Virtual Screening: A Critical Review
Thomas Scior, Andreas Bender, Gary Tresadern, José L. Medina-Franco, Karina Martínez-Mayorga, Thierry Langer, Karina Cuanalo-Contreras, Dimitris K. Agrafiotis
DOI: 10.1021/ci200528d
Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms
Johannes Kirchmair, Mark J. Williamson, Jonathan D. Tyzack, Lu Tan, Peter J. Bond, Andreas Bender, Robert C. Glen
DOI: 10.1021/ci200542m