In silico characterization of protein partial molecular volumes and hydration shells-Reference-Cited by-同舟云学术

In silico characterization of protein partial molecular volumes and hydration shells

Published:2015 Issue:46 Volume:17 Page:31270-31277
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Del Galdo Sara¹²³⁴,Marracino Paolo⁵⁶⁷⁸⁴,D'Abramo Marco⁹⁷¹⁰⁴,Amadei Andrea¹²³⁴

Affiliation:

1. Department of Chemical Science and Technology

2. University of Roma Tor Vergata

3. 00133 Roma

4. Italy

5. Department of Information Engineering

6. Electronics and Telecommunications

7. University of Roma Sapienza

8. 00184 Roma

9. Department of Chemistry

10. 00185 Roma

Abstract

In this paper we present a computational approach, based on NVT molecular dynamics trajectories, that allows the direct evaluation of the protein partial molecular volume.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP05891K

Reference35 articles.

1. Protein hydration in solution: Experimental observation by x-ray and neutron scattering

2. Is the first hydration shell of lysozyme of higher density than bulk water?

3. Water Dynamics in Protein Hydration Shells: The Molecular Origins of the Dynamical Perturbation

4. Combining THz spectroscopy and MD simulations to study protein-hydration coupling

5. Diffusion of Hydration Water around Intrinsically Disordered Proteins

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