TITLE

Water Evaporation and Conformational Changes from Partially Solvated Ubiquitin

AUTHOR(S)
Thirumuruganandham, Saravana Prakash; Urbassek, Herbert M.
PUB. DATE
January 2010
SOURCE
Biochemistry Research International;2010, p1
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Using molecular dynamics simulation, we study the evaporation of water molecules off partially solvated ubiquitin. The evaporation and cooling rates are determined for a molecule at the initial temperature of 300 K. The cooling rate is found to be around 3 K/ns, and decreases with water temperature in the course of the evaporation. The conformation changes aremonitored by studying a variety of intermediate partially solvated ubiquitin structures. We find that ubiquitin shrinks with decreasing hydration shell and exposes more of its hydrophilic surface area to the surrounding.
ACCESSION #
56530492

 

Related Articles

  • Correlation dimension as a measure of surface roughness of protein molecules. Jun-Ho Choi; Hojing Kim // Journal of Chemical Physics;10/22/1998, Vol. 109 Issue 16, p7001 

    Examines globular protein surface corrugation and roughness in binding and diffusion simulations. Impact of fractal analyses and correlation dimension on molecular surface roughness; Significance of molecular dynamic simulations at constant temperature and pressure on the variation of...

  • Concerning the filtrational cooling of a heat-releasing granular bed in the presence of a first-order phase transition. Teplitskii, Yu.; Kovenskii, V. // Journal of Engineering Physics & Thermophysics;Mar2007, Vol. 80 Issue 2, p311 

    Within the framework of a two-temperature approximation, mathematical simulation of the process of filtrational evaporative cooling of a heat-releasing bed is performed. Based on this, an engineering method for calculating the cooling of a granular bed has been developed; it allows one to...

  • An Investigation of the Influence of Latent Heat Release on Cold-Frontal Motion. Reeves, Heather Dawn; Lackmann, Gary M. // Monthly Weather Review;Dec2004, Vol. 132 Issue 12, p2864 

    The effects of condensational heating on cold-frontal translation speed are explored through the use of potential vorticity (PV) diagnostics and model sensitivity experiments. It is hypothesized that condensational heating can lead to faster frontal translation speeds in the presence of vertical...

  • Low-frequency vibrational properties of lysozyme in sugar aqueous solutions: A Raman scattering and molecular dynamics simulation study. Lerbret, A.; Affouard, F.; Bordat, P.; Hédoux, A.; Guinet, Y.; Descamps, M. // Journal of Chemical Physics;12/28/2009, Vol. 131 Issue 24, p245103 

    The low-frequency (ω<400 cm-1) vibrational properties of lysozyme in aqueous solutions of three well-known protecting sugars, namely, trehalose, maltose, and sucrose, have been investigated by means of complementary Raman scattering experiments and molecular dynamics simulations. The...

  • Nature Relation Between Climatic Variables and Cotton Production. Sawan, Zakaria M. // Journal of Stress Physiology & Biochemistry;2014, Vol. 10 Issue 3, p197 

    This study investigated the effect of climatic variables on flower and boll production and retention in cotton (Gossypium barbadense). Also, this study investigated the relationship between climatic factors and production of flowers and bolls obtained during the development periods of the...

  • Mechanical unfolding of ubiquitin molecules. Cieplak, Marek; Marszalek, Piotr E. // Journal of Chemical Physics;11/15/2005, Vol. 123 Issue 19, p194903 

    Mechanical stretching of ubiquitin and of its several repeats are studied through molecular-dynamics simulations. A Go-type model [H. Abe and N. Go, Biopolymers 20, 1013 (1981)] with a realistic contact map and with Lennard-Jones contact interactions is used. The model qualitatively reproduces...

  • How hydrophobic hydration responds to solute size and attractions: Theory and simulations. Athawale, Manoj V.; Jamadagni, Sumanth N.; Garde, Shekhar // Journal of Chemical Physics;9/21/2009, Vol. 131 Issue 11, p115102 

    We focus on the hydration of a methane and spherical single and multisite C60 and C180 solutes over a range of solute-water attractions to quantify the vicinal water structure and their hydration thermodynamics using extensive molecular dynamics simulations and theory. We show that water...

  • Hydrogen bond and residence dynamics of ion–water and water–water pairs in supercritical aqueous ionic solutions: Dependence on ion size and density. Mallik, Bhabani S.; Chandra, Amalendu // Journal of Chemical Physics;12/21/2006, Vol. 125 Issue 23, p234502 

    We have carried out a series of molecular dynamics simulations to investigate the hydrogen bond and residence dynamics of X-–water (X=F, Cl, and I) and pairs in aqueous solutions at a temperature of 673 K. The calculations are done at six different water densities ranging from 1.0 to 0.15...

  • Molecular Dynamics Simulations on Evaporation of Droplets with Dissolved Salts. Bing-Bing Wang; Xiao-Dong Wang; Min Chen; Jin-Liang Xu // Entropy;Apr2013, Vol. 15 Issue 4, p1232 

    Molecular dynamics simulations are used to study the evaporation of water droplets containing either dissolved LiCl, NaCl or KCl salt in a gaseous surrounding (nitrogen) with a constant high temperature of 600 K. The initial droplet has 298 K temperature and contains 1,120 water molecules, 0,...

Share

Read the Article

Courtesy of VIRGINIA BEACH PUBLIC LIBRARY AND SYSTEM

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics