𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Solvation shell dynamics studied by molecular dynamics simulation in relation to the translational and rotational dynamics of supercritical water and benzene

✍ Scribed by Yoshida, Ken; Matubayasi, Nobuyuki; Nakahara, Masaru

Book ID
115463938
Publisher
American Institute of Physics
Year
2007
Tongue
English
Weight
475 KB
Volume
127
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Superoxide dismutase: Fluctuations in th
Superoxide dismutase: Fluctuations in the structure and solvation of the active site channel studied by molecular dynamics simulation
✍ Jian Shen; Shankar Subramaniam; Chung F. Wong; J. Andrew Mccammon πŸ“‚ Article πŸ“… 1989 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 609 KB

The molecular dynamics (MD) simulation of superoxide dismutase (SOD) in water is carried out for a total of 23 ps. The simulation system is a 26 A sphere centered at the active site of SOD, including 1602 atoms from SOD and 1761 water molecules. There is no gross deviation from the x-ray structure f

Comparative study of urea and tetramethy
Comparative study of urea and tetramethylurea in water by molecular dynamics simulations
✍ A. Tovchigrechko; M. Rodnikova; J. Barthel πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science 🌐 English βš– 884 KB

The hydration of urea and tetrarnethylurea (TMU) is studied by molecular dynamics simulations. A perturbed structure of the H-bond network is shown in the hydration shell of urea around carbonyl oxygen, and an enhanced mobility of water is found in the region corresponding to the hydration of the ca

Dynamics of water molecules buried in ca
Dynamics of water molecules buried in cavities of apolipoprotein E studied by molecular dynamics simulations and continuum electrostatic calculations
✍ Martine PrΓ©vost πŸ“‚ Article πŸ“… 2004 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 444 KB πŸ‘ 2 views

## Abstract Molecular dynamics (MD) simulations of several nanoseconds each were used to monitor the dynamic behavior of the five crystal water molecules buried in the interior of the N‐terminal domain of apolipoprotein E. These crystal water molecules are fairly well conserved in several apolipopr