Free energy from molecular dynamics with multiple constraints
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268970009483348
Reference20 articles.
1. van Gunsteren, W. F. 1989.Computer Simulations of Biomolecular Systems: Theoretical and Experimental ApplicationsEdited by: van Gunsteren, W. F. and Weiner, P. K. Vol. 1, 27Leiden, The Netherlands: ESCOM.
2. Free Energy by Molecular Simulation
3. A direct method of studying reaction rates by equilibrium molecular dynamics: Application to the kinetics of isomerization in liquidn‐butane
4. Free energy as the potential of mean constraint force
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