Conformational Free Energies from Simulation: Stochastic Dynamics/Monte Carlo Simulations of a Homologous Series of Gellman's Diamides

Journal of the American Chemical Society

Volumn 116, Issue 25, 1994, Pages 11550-11553

  McDonald, D Quentin ^a   Still, W Clark ^a  

^a Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000889732     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00104a039     Document Type: Article

References (11)

1. Gellman, S.H., Dado, G.P., Liang, G.-B., Adams, B.R. J. Am. Chem. Soc. 1991, 113, 1164.
2. McDonald, D.Q., Still, W.C. Tetrahedron Lett. 1992, 33, 7747.
3. Still, W.C., Guamieri, F. J. Comput. Chem. 1994, 15, 1302.
4. van Gunsteren, W.F., Berendsen, H.J.C. Mol. Simul. 1988, 1, 173.
5. Kurz, M., Mierke, D.F., Kessler, H. Angew. Chem., Int. Ed. Engl. 1992, 31, 210.
6. Ferguson, D.M., Kollman. P.A. J. Comput. Chem. 1991, 12, 620.
7. Allinger, N.L., Yuh. Y.H., Lii. J.-H. J. Am Chem. Soc. 1989, 111, 8551.
8. Allinger, N.L., Grev, R.S., Yates. B.F., Schaefer. H.F. III. J Am. Chem. Soc. 1990, 112, 114.
9. Still, W.C., Tempczyk, A., Hawley. R.C., Hendrickson. T. J. Am. Chem. Soc. 1990, 112, 6127.
10. Mitchell, M.J., McCammon, J.A. J. Comput. Chem. 1991, 12, 271.
11. van Gunsteren, W.F., Mark, A.E. Eur. J. Biochem. 1992, 204, 947.