Output details
15 - General Engineering
University of Edinburgh (joint submission with Heriot-Watt University)
Article title
Molecular Dynamics Characterization of Protein Crystal Contacts in Aqueous Solutions
Type
D - Journal article
Title of journal
Physical Review Letters
Article number
248102
Volume number
101
Issue number
24
First page of article
-
ISSN of journal
0031-9007
Year of publication
2008
Number of additional authors
2
Additional information
In this paper, for the first time, the effective interactions between crystal contacts of proteins have been directly characterized using molecular simulations. The generated insights on the nature and magnitude of these interactions will aid the development of more systematic approaches to crystallization of proteins. This work attracted wide international attention (Austria, DoI:10.1039/C0CP02296A; Italy, DoI:10.1021/jp9081905; USA, DoI:10.1103/PhysRevLett.103.018101; and Sweden, DoI:10.1039/B909179C) and its extension led to two FP7 High Performance Computing-Europa funded visits to ERPE in 2009-2010.
Interdisciplinary
-
Cross-referral requested
-
Research group
A - Manufacturing & Materials
Proposed double-weighted
No
Double-weighted statement
-
Reserve for a double-weighted output
No
Non-English
No
English abstract
-
