Free energy calculations applications

Kollman P A 1993. Free Energy Calculations Applications to Chemical and Bicx hemica] Phenojne. Chemical Reviews 93 23 -2417. 

PA Kollman. Free energy calculations Applications to chemical and biochemical phenomena. Chem Rev 93 2395-2417, 1992. 

Verkhivker, G. Elber, R. Nowak, W., Locally enhanced sampling in free energy calculations application of mean held approximation to accurate calculation of free energy differences, J. Chem. Phys. 1992, 97, 7838-7841... 

Simonson, T. Archontis, G. Karplus, M., Continuum treatment of long-range interactions in free energy calculations. Application to protein-ligand binding, J. Phys. Chem. B 1997, 101, 8349-8362... 

P. Kollman, Chem. Rev., 7, 2395 (1993). Free Energy Calculations-Applications to Chemical... 

Kollman P. Free energy calculations—applications to chemical and biological phenomena. Chem Rev 1993 7 2395-2417. 

See for example Kollmann, P. Free energy calculations applications to chemical and biochemical phenomena, Chem. Revs. 1993,93,2395-2417 Mordasini Denti, T. Z. Beutler, T. C. van Gunsteren, W. F. Diederich, F. Computation of Gibbs free energies of hydration of simple aromatic molecules a comparative study using Monte Carlo and Molecular Dynamics computer simulation techniques, J. Phys. Chem. 1996,100,4256-4260. 

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See also in sourсe #XX -- [ ]

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