Comparison of estimates of free energy for binding of mono- and di-substituted benzenes with α-cyclodextrin obtained by single-step perturbation and thermodynamic integration

2007 ◽  
Vol 57 (1-4) ◽  
pp. 375-377 ◽  
Author(s):  
M. I. El-Barghouthi ◽  
M. Schenk ◽  
M. B. Zughul ◽  
A. A. Badwan ◽  
W. F. Gunsteren
2006 ◽  
Vol 124 (6) ◽  
pp. 064707 ◽  
Author(s):  
Mark T. Lusk ◽  
Michael R. Fellinger ◽  
Paul D. Beale

2015 ◽  
Vol 34 (5) ◽  
pp. 611-617 ◽  
Author(s):  
Kie NOJIRI ◽  
Akimasa TSUJIMOTO ◽  
Takayuki SUZUKI ◽  
Syo SHIBASAKI ◽  
Saki MATSUYOSHI ◽  
...  

2016 ◽  
Vol 15 (2) ◽  
pp. 023505 ◽  
Author(s):  
Andrew J. Peters ◽  
Richard A. Lawson ◽  
Benjamin D. Nation ◽  
Peter J. Ludovice ◽  
Clifford L. Henderson

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