Molecular Materials with Specific Interactions - Modeling and Design

- Theory of Intermolecular Forces: An Introductory Account, R. Moszynski

- Hohenberg-Kohn-Sham Density Functional Theory: The formal basis for a family of successful and still evolving computational methods for modeling interactions in complex chemical systems, T.A. Wesolowski

- Selected Microscopic and Mezoscopic Modeling Tools and Models - An Overview, M. Gruziel, P. Kmiec, J. Tryska and B. Lesyng

- Modeling Chemical Reactions with First-Principle Molecular Dynamics, A. Michalak and T. Ziegler

- Computational Enzymology - Insights into Enzyme Mechanism and Catalysis from Modeling, A.J. Mulholland

- Computational Determination of the Relative Free Energy of Binding - Application to Alanine Scanning Mutagenesis, I.S. Moreira, P.A. Fernandes and M.J. Ramos

- Substrate-Enzyme Interactions from Modeling and Isotope Effects, R.A. Kwiecien, A. Lewandowicz and P. Paneth

- From Inhibitors of LAP (Leucine Aminopeptidase) to Inhibitors of PAL (L-phenylalanine Ammonia Lyase) Lessons Learnt from COmputational and Experimental Interface, L. Berlicki, J. Grembecka, E. Dyguda-Kazimierowicz, P. Kafarski and W.A. Sokalski

- Theoretical STudies of the Transition States along the Reaction Coordinates of [NiFe]Hydrogenase, H. Nakano, K. Doi and A. Tachibana

- Bacteriorhodopsin Energy Landscape: Current Status, V. Renugopalakrishnan

- Dimerization and Oligomerization of Rhodopsin and other G Protein-Coupled Receptors, S. Filipek, A. Modzelewska and K.A. Krzysko

- Molecular Dynamics simulations of Hydrogen Adsorption in Finite and Infinite Bundles of Single Walled Carbon Nanotubes, H. Cheng, A.C. Cooper, G.P. Pez, M.K. KOstov, M.T. Knippenberg, P. Piotrowski and S.J. Stuart

- The Remarkable Capacities of (6,0) Carbon and Carbon/Boron/Nitrogen Model Nanotubes for Transmision of Electronic Effects, P. Politzer, J.S. Murray, P.T. Lane and M.C. Concha

- Electronic properties and fragmentation dynamics of organic species deposited on semiconductor