Water molecules and hydrogen-bonded networks in bacteriorhodopsin--molecular dynamics simulations of the ground state and the M-intermediate. Biophys J 2005;88:3252-3261.S. Grudinin, G. Buldt, V. Gordeliy, A. Baumgaertner, Water molecules and hydrogen-bonded networks in bacteriorhodopsin--...
After many years of intensive experimental and theoretical studies, the water dimer is now a textbook example of hydrogen bonding. Not only its structure with a near-linear hydrogen bond and its binding energy are important, but also the observation that it has eight equivalent hydrogen-bonded equ...
water/ hydrogen bondingwaterammonia moleculesSCF LCAO MO methodSlater type orbitalsequilibrium separationminimumpotential energy curveThe hydrogen bond N·H O between the water and ammonia molecules has been investigated ab initio using the SCF LCAO MO method. The minimal and extended basis sets of ...
We performed numerous MD simulations, each with the same initial configuration of 560 TIP4P/2005 water molecules in the liquid state with the temperature controlled at 270 K (20 K above the bulk melting temperatureTmof 249 ± 2 K46for the TIP4P/2005 model), while considering numerous...
The local structure of liquid water as a function of temperature is a source of intense research. This structure is intimately linked to the dynamics of water molecules, which can be measured using Raman and infrared spectroscopies. The assignment of spe
1). The bulk water phase and the bilayer core contain mainly one type of molecule (water) or chemical group (CH2, CH3). In contrast, the bilayer/water interface is a complex region consisting of water molecules, the number of which decreases with the bilayer depth (Fig. 1), and various...
of hydrogen production (electrolyzer cell mode) and power production (fuel cell mode) is able to provide an economical means for efficient long-term energy storage and on-demand conversion back to electrical energy only with the participation of powerful oxygen electrolysis (Fig.1c) [20,21]. ...
of mass-energy-decaying trended particle transmutation expresses at the subatomic scale, it will manifest as a sunspot-maximum-correlated increase in proton density and positron fraction, both of which are measureable in earth’s protonosphere (above hydrogen shell) by using AMS-0.2 and the ...
approach. The peptide strongly partitions into lipid compositions resembling Gram-positive bacterial membranes but less in those harboring the eukaryotic membrane component cholesterol. Upon insertion, lugdunin forms hydrogen-bonded antiparallel β-sheets by the formation of peptide nanotubes, as demonstrated...
Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features. Biopolymers 22, 2577–2637 (1983). CAS PubMed Google Scholar Takeuchi, Y. et al. Polyunsaturated fatty acids selectively suppress sterol regulatory element-binding protein-1 through proteolytic ...