Computational approaches to shed light on molecular mechanisms in biological processes

Computational approaches based on Molecular Dynamics simulations, Quantum Mechanical methods and 3D Quantitative Structure-Activity Relationships were employed by computational chemistry groups at the University of Milano-Bicocca to study biological processes at the molecular level. The paper reports the methodologies adopted and the results obtained on Aryl hydrocarbon Receptor and homologous PAS proteins mechanisms, the properties of prion protein peptides, the reaction pathway of hydrogenase and peroxidase enzymes and the defibrillogenic activity of tetracyclines. © Springer-Verlag 2007

A new method for tourism carrying capacity assessment

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Similarity of molecular electrostatic potential distributions in a series of HMG-CoA reductase inhibitors. Preliminary results

The main features of the Molecular Electrostatic Potential (MEP) in a series of HMG-CoA reductase inhibitors are investigated in a selected plane. Moreover similarities between the three dimensional MEP distributions are calculated. The obtained results led to a refinement of the previously reported geometrical model for the activity of this class of compounds

The importance of good sample preparation in capillary gas chromatography

The present state of the art in Capillary Gas Chromatography (CGC) is discussed and the importance of good sample preparation is highlighted, this in order to benifit from the features CGC offers nowadays