Search results for "MYOGLOBIN"
showing 10 items of 141 documents
MAPPING THE FREE ENERGY LANDSCAPE OF CO DIFFUSION IN MYOGLOBIN
2008
Ricostruzione del panorama di energia libera per il processo di diffusione del CO all'interno della mioglobina IES08, Maggio 08.
2008
Multiphoton Absorption of Myoglobin Nitric-Oxide complex: Relaxation by D-NEMD of a Stationary State
2012
ABSTRACT: The photodissociation and geminate recombination of nitric oxide in myoglobin, under continuous illumination, is modeled computationally. The relaxation of the photon energy into the protein matrix is also considered in a single simulation scheme that mimics a complete experimental setup. The dynamic approach to non-equilibrium molecular dynamics is used, starting from a steady state, to compute its relaxation to equilibrium. Simulations are conducted for the native form of sperm whale myoglobin and for two other mutants, V68W and L29F, illustrating a fair diversity of spatial and temporal geminate recombination processes. Energy flow to the heme and immediate protein environment …
Multiphoton Absorption of Myoglobin-Nitric Oxide Complex: Relaxation by D-NEMD of a Stationary State
2013
Water effects on trehalose matrices studied through Molecular Dynamics
2012
Proteins in Amorphous Saccharides: Structural and Dynamical Insights on Bioprotection
2011
We report on experimental and simulative insights on saccharide-based bioprotection, obtained through the study of proteins embedded in amorphous saccharide matrices. The data presented come from a complementary set of techniques (FTIR, MD simulations and SAXS), which provides a description of the bioprotection mechanism from the atomistic to the macroscopic level. The results concur to draw a picture in which bioprotection by saccharides can be explained in terms of a tight anchorage of the protein surface to a stiff matrix, via extended hydrogen-bond networks, whose properties are defined by all its components, and are strongly dependent on the water content. In particular, they show how …