Sfoglia per Soggetto "Computational"
Items 1-2 di 2
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A molecular dymanics view of structure and reactivity
(Universita degli studi di Salerno, 2011-02-21)The eld of computer simulations has developed into a very important branch of science providing a guess at the interactions between molecules to obtain predictions of properties as accurate as required, subject to ... -
New techniques of molecular modelling and structural chemistry for the development of bioactive compounds
(Universita degli studi di Salerno, 2013-05-14)Computational chemistry represents today a valid and fast tool for the research of new compounds with potential biological activity. The analysis of ligand-macromolecule interactions and the evaluation of possible “binding ...