Computer Simulation of Urea−Water Mixtures: A Test of Force Field Parameters for Use in Biomolecular Simulation-Reference-Cited by-同舟云学术

Computer Simulation of Urea−Water Mixtures: A Test of Force Field Parameters for Use in Biomolecular Simulation

Published:2003-12-18 Issue:3 Volume:108 Page:1065-1071
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Smith Lorna J.¹,Berendsen Herman J. C.¹,van Gunsteren Wilfred F.¹

Affiliation:

1. Oxford Centre for Molecular Sciences, Central Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QH, United Kingdom, Laboratory of Biophysical Chemistry, University of Groningen, Nijenborgh 4, NL-9747 AG Groningen, The Netherlands, and Laboratory of Physical Chemistry, Swiss Federal Institute of Technology Zurich, ETH Hönggerberg, CH-8093 Zürich, Switzerland

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp030534x

Reference42 articles.

1. Molecular Dynamics Simulations of the Unfolding of Barnase in Water and 8 M Aqueous Urea

2. Structural details of urea binding to barnase: a molecular dynamics analysis

3. Molecular dynamics simulations of urea and thermal-induced denaturation of S-peptide analogue

4. Hydrophobic Interactions in Aqueous Urea Solutions with Implications for the Mechanism of Protein Denaturation

5. Molecular Dynamics Study on Hydrophobic Effects in Aqueous Urea Solutions

Cited by 121 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Assessment of GAFF and OPLS Force Fields for Urea: Crystal and Aqueous Solution Properties;Crystal Growth & Design;2023-12-08

2. A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals;The Journal of Chemical Physics;2023-11-14

3. Prediction of aqueous solubility of a strongly soluble solute from molecular simulation;The Journal of Chemical Physics;2023-07-28

4. The thermodynamics of enhanced dope stability of cellulose solution in NaOH solution by urea;Carbohydrate Polymers;2023-07

5. Femtosecond proton transfer in urea solutions probed by X-ray spectroscopy;Nature;2023-06-28