Free Energy Calculations in Biological Systems. How Useful Are They in Practice?
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Publisher
Springer-Verlag
Link
http://link.springer.com/content/pdf/10.1007/3-540-31618-3_12.pdf
Reference70 articles.
1. Kollman, P. A., Free energy calculations: Applications to chemical and biochemical phenomena, Chem. Rev. 93, 2395–2417, 1993.
2. Postma, J. P. M.; Berendsen, H. J. C.; Haak, J. R., Thermodynamics of cavity formation in water: A molecular dynamics study, Faraday Symp. Chem. Soc. 17, 55–67, 1982.
3. Warshel, A., Dynamics of reactions in polar solvents. Semiclassical trajectory studies of electron transfer and proton transfer reactions, J. Phys. Chem. 86, 2218–2224, 1982.
4. Bash, P. A.; Singh, U. C.; Langridge, R.; Kollman, P. A., Free energy calculations by computer simulation, Science 236, 564–568, 1987.
5. Bash, P. A.; Singh, U. C.; Brown, F. K.; Langridge, R.; Kollman, P. A., Calculation of the relative change in binding free energy of a protein-inhibitor complex, Science 235, 574–576, 1987.
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