beton silico - calcaire

comite europeen du beton (ceb)

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Vom bunten Beton bis zur Bibel. Studienorientierung und -beratung an der Hochschule

In silico pKa prediction

The biopharmaceutical profile of a compound depends directly on the dissociation constants of its acidic and basic groups, commonly expressed as the negative decadic logarithm pKa of the acid dissociation constant (Ka). The acid dissociation constant (also protonation or ionization constant) Ka is an equilibrium constant defined as the ratio of the protonated and the deprotonated form of a comp...

Experimental toxicology in silico.

A review on applicability of in silico methods for toxicity testing by calculation for regulatory purposes, their survey and background of QSAR (Quantitative Structure-Activity Relationships) analysis are presented.

In Silico Biology

Rather than studying existent living systems, we can increasingly produce computer models that capture the salient aspects of life. This provides us with unprecedented opportunities to examine, manipulate, and explore biological phenomena, allowing us to investigate some of the deepest issues in biology.

In silico enzyme modelling

The 2013 Nobel Prize in Chemistry went to Martin Karplus, Michael Levitt and Arieh Warshel for their pioneering work on computer modelling, specifically, the 'development of multiscale models of complex chemical systems' (1). This award not only recognises the critical contributions by the three laureates to the field of molecular simulations, but also underscores the broad impact that computer...