Applications of
Cheminformatics & Chemical Modelling
to Drug Discovery
Macromolecular Interactions



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Macromolecular Interactions and Networks

InterAction Meeting Session, Bryn Mawr, Philadelphia, USA
Tuesday October 13, 2009

Chaired by Emil Alexov (Clemson University) Bio....

Biological interactions and the corresponding networks of interactions are essential for the function of the cell. Therefore the ability to model these interactions and networks in silico will help understanding molecular mechanism of cellular function and will facilitate the development of treatments that can alter these interactions in desired fashion. This session focuses on several aspects of biological interactions with different level of detail and organization beginning with amino acid interactions, elucidating the role of electrostatics on protein nucleic acid binding, revealing the role of disordered protein regions on the binding and expounding the effect of multiple pathways on cell death.

Presenters & Discussions Leaders
Amos Fatokun (John Hopkins), Molecular Mechanisms of (Neuronal) Cell Death: Convergence or Divergence of Multiple Pathways? Abstract & Bio....
Marcia Fenley (Florida State University), Revisiting the Binding Energetics of Charged Ligand-Nucleic Acid Complexes using Novel Nonlinear and Modified Poisson-Boltzmann Solvers Abstract & Bio....
Eric Hajjar (Universita degli Studi di Cagliari and Sardinian Laboratory for Computational Materials Science), Towards Design of Antibiotics with Improved Permeation Properties through Bacterial Pores Abstract & Bio....
Rameshwar Kadam (University of Berne), Modeling Protein-Carbohydrate Recognition: a Study of Glycopeptide Dendrimer Ligands of the Fucose Binding Lectin PA-IIL from Pseudomonas aeruginosa Abstract & Bio....
Alex Morozov (Rutgers University), Evolutionary Origin of Pairwise and Higher-order Correlations among Drug-resistance Mutations in HIV-1 Subtype B Protease Abstract & Bio....
Anna Panchenko (National Center for Biotechnology Information), Role of Intrinsic Disorder in Protein-Protein Interactions Abstract & Bio....

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