Exploració per autor "Frezzato, Diego"
Ara es mostren els items 1-3 de 3
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Features in chemical kinetics. I. Signatures of self-emerging dimensional reduction from a general format of the evolution law
Nicolini, Paolo; Frezzato, Diego (2013-06-17)
Article
Accés restringit per política de l'editorialSimplification of chemical kinetics description through dimensional reduction is particularly important to achieve an accurate numerical treatment of complex reacting systems, especially when stiff kinetics are considered ... -
Features in chemical kinetics. II. A self-emerging definition of slow manifolds
Nicolini, Paolo; Frezzato, Diego (2013-06-21)
Article
Accés restringit per política de l'editorialIn the preceding paper of this series (Part I, P. Nicolini and D. Frezzato, J. Chem. Phys. 138, 234101(2013)) we have unveiled some ubiquitous features encoded in the systems of polynomial differential equations normally ... -
Toward quantitative estimates of binding affinities for protein-ligand systems involving large inhibitor compounds: A steered molecular dynamics simulation route
Nicolini, Paolo; Frezzato, Diego; Gellini, Cristina; Bizzarri, Marco; Chelli, Riccardo (2013-07)
Article
Accés restringit per política de l'editorialUnderstanding binding mechanisms between enzymes and potential inhibitors and quantifying protein–ligand affinities in terms of binding free energy is of primary importance in drug design studies. In this respect, several ...