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Free Energy Calculations with Non-Equilibrium Methods: Applications of the Jarzynski Relationship

โœ Scribed by Hui Xiong; Alejandro Crespo; Marcelo Marti; Dario Estrin; Adrian E. Roitberg

Book ID
105885810
Publisher
Springer
Year
2006
Tongue
English
Weight
358 KB
Volume
116
Category
Article
ISSN
1432-2234

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## Abstract The ability to predict and characterize free energy differences associated with conformational equilibria or the binding of biomolecules is vital to understanding the molecular basis of many important biological functions. As biological studies focus on larger molecular complexes and pr