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Page 1
Thermodynamic and Differential Entropy under a Change of Variables.
Entropy (Basel). 2010 Mar 16;12(3):578-590. doi: 10.3390/e12030578.
Entropy (Basel). 2010.
PMID: 24436633
Free PMC article.
Efficient calculation of configurational entropy from molecular simulations by combining the mutual-information expansion and nearest-neighbor methods.
Hnizdo V, Tan J, Killian BJ, Gilson MK.
Hnizdo V, et al.
J Comput Chem. 2008 Jul 30;29(10):1605-14. doi: 10.1002/jcc.20919.
J Comput Chem. 2008.
PMID: 18293293
Free PMC article.
Item in Clipboard
Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations.
Hnizdo V, Fedorowicz A, Singh H, Demchuk E.
Hnizdo V, et al.
J Comput Chem. 2003 Jul 30;24(10):1172-83. doi: 10.1002/jcc.10289.
J Comput Chem. 2003.
PMID: 12820124
Item in Clipboard
Nearest-neighbor nonparametric method for estimating the configurational entropy of complex molecules.
Hnizdo V, Darian E, Fedorowicz A, Demchuk E, Li S, Singh H.
Hnizdo V, et al.
J Comput Chem. 2007 Feb;28(3):655-68. doi: 10.1002/jcc.20589.
J Comput Chem. 2007.
PMID: 17195154
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Estimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations.
Darian E, Hnizdo V, Fedorowicz A, Singh H, Demchuk E.
Darian E, et al. Among authors: hnizdo v.
J Comput Chem. 2005 May;26(7):651-60. doi: 10.1002/jcc.20198.
J Comput Chem. 2005.
PMID: 15751106
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Correlation as a determinant of configurational entropy in supramolecular and protein systems.
Fenley AT, Killian BJ, Hnizdo V, Fedorowicz A, Sharp DS, Gilson MK.
Fenley AT, et al. Among authors: hnizdo v.
J Phys Chem B. 2014 Jun 19;118(24):6447-55. doi: 10.1021/jp411588b. Epub 2014 Apr 18.
J Phys Chem B. 2014.
PMID: 24702693
Free PMC article.
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