Showing results (3131-3140 of 5,977) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|June 22, 2006
QM/MM modeling of compound I active species in cytochrome P450, cytochrome C peroxidase, and ascorbate peroxidaseJeremy N Harvey, Christine M Bathelt, Adrian J MulhollandJournal of Computational Chemistry|June 22, 2006
Quantum chemistry applied to the mechanisms of transition metal containing enzymes -- cytochrome c oxidase, a particularly challenging caseMargareta R A Blomberg, Per E M SiegbahnJournal of Computational Chemistry|June 30, 2006
QM/MM calculations with DFT for taking into account protein effects on the EPR and optical spectra of metalloproteins. Plastocyanin as a case studySebastian Sinnecker, Frank NeeseJournal of Computational Chemistry|June 29, 2006
A DFT study of the mechanism of Ni superoxide dismutase (NiSOD): role of the active site cysteine-6 residue in the oxidative half-reactionRajeev Prabhakar, Keiji Morokuma, Djamaladdin G MusaevJournal of Computational Chemistry|June 15, 2006
Quantum mechanical and molecular dynamics simulations of ureases and Zn beta-lactamasesGuillermina Estiu, Dimas Suárez, Kenneth M MerzJournal of Computational Chemistry|July 19, 2006
PROFASI: A Monte Carlo simulation package for protein folding and aggregationAnders Irbäck, Sandipan MohantyJournal of Computational Chemistry|June 15, 2007
Symmetry operation measuresMark Pinsky, David Casanova, Pere Alemany, et al.Journal of Computational Chemistry|June 15, 2007
Ab initio study of electronic structure and optical properties of heavy-metal azides: TlN3, AgN3, and CuN3Weihua Zhu, Heming XiaoJournal of Computational Chemistry|June 15, 2007
Ring inversion in 1,4,7 cyclononatriene and analogues: Ab initio and DFT calculations and topological analysisMiguel A Zamora, Fernando D Suvire, Ricardo D EnrizJournal of Computational Chemistry|July 4, 2007
Substitution effect on the geometry and electronic structure of the ferroceneGuiling Zhang, Hui Zhang, Miao Sun, et al.Pageof 598