Chapter 4. Molecular Dynamics and Free Energy Calculations Applied to the Enzyme Barnase and One of its Stability Mutants
- Professor Julia M. Goodfellow
Published Online: 19 DEC 2007
DOI: 10.1002/9783527615339.ch4
Copyright © 1995 VCH Verlagsgesellschaft mbH
Book Title
Computer Modelling in Molecular Biology
Additional Information
How to Cite
Wodak, S. J., Van Belle, D. and Prévost, M. (2007) Molecular Dynamics and Free Energy Calculations Applied to the Enzyme Barnase and One of its Stability Mutants, in Computer Modelling in Molecular Biology (ed J. M. Goodfellow), Wiley-VCH Verlag GmbH, Weinheim, Germany. doi: 10.1002/9783527615339.ch4
Editor Information
Department of Crystallography, Birkbeck College, University of London, Malet Street, London WClE 7HX, United Kingdom
Publication History
- Published Online: 19 DEC 2007
- Published Print: 27 JUL 1995
ISBN Information
Print ISBN: 9783527300624
Online ISBN: 9783527615339
- Summary
- Chapter
- References
Keywords:
- molecular dynamics;
- free energy calculations;
- enzyme barnase;
- stability mutants;
- integration algorithm
Summary
This chapter contains sections titled:
Introduction
Molecular Dynamics Simulations of Barnase in Water
Computing the Free Energy Change Associated with a Hydrophobic Mutation in Barnase
Concluding Remarks
References