The purpose of this presentation is to outline the Museum Multimedia (MM) experience in Russia. I am quite not sure wether all my colleagues experts and museum community in West Europe and America are intimately familiar with Russian experience in this sphere and I am pleased to have this opportunity to fill the gap. I will mainly focus on the general picture for some more reports with detailed...

Combined QM/MM calculations of an activesite of Cytochrome P450cam have been performed, before and after a binding process of Cytochrome P450cam to Putidaredoxin. The calculations have been carried out for two coordination spheres of the heme active-site of Cytochrome P450cam, namely a 5-coordinated, and a 6coordinated system of this protein having a water molecule as a 6th ligand. An experimen...

c © 2009 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher ment...

c © 2007 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher ment...

The oxy-myoglobin (Mb-O2) structure was probed by QM/MM (hybrid quantum mechanical/ molecular mechanical) calculations using DFT/MM to elucidate the effect of the heme propionates and the protein matrix on the chemistry of heme Fe-O2 moiety. On this line, we have probed the role of His97 in various protonation states of the heme propionate-6.

Spectral properties of sign symmetric matrices are studied. A criterion for sign symmetry of shifted basic circulant permutation matrices is proven, and is then used to answer the question which complex numbers can serve as eigenvalues of sign symmetric 3 × 3 matrices. The results are applied in the discussion of the eigenvalues of QM -matrices. In particular, it is shown that for every positiv...