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Journal of the American Chemical Society

Volumn 111, Issue 24, 1989, Pages 8950-8951

Corner Flapping: A Simple and Fast Algorithm for Exhaustive Generation of Ring Conformations

(2) Goto, Hitoshi a Osawa, Eiji a

a HOKKAIDO UNIVERSITY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLOALKANE;

CHEMICAL STRUCTURE; NONHUMAN; NOTE;

EID: 0024834696 PISSN: 00027863 EISSN: 15205126 Source Type: Journal
DOI: 10.1021/ja00206a046 Document Type: Article

Times cited : (422)

References (4)

1
- 85022536825
- Distance Geometry and Molecular Conformation
- Distance geometry John Wiley & Sons, Inc.: New York, 1988. (b) Simulated annealing: Wilson, S. R.; Cui, W.; Moskowitz, J. W.; Schmidt, K. E. Tetrahedron Lett. 1988, 29, 4373. (c) Stochastic search: Saunders, M. J. Am. Chem. Soc. 1987, 109, 3150. (d) Ellipsoid algorithm: Billeter, M.; Howard, A. E.; Kuntz, I. D.; Kollman, P. A. J. Am. Chem. Soc. 1988, 1 10, 8385. (e) Monte Carlo: Li, Z.; Scheraga, H. A. Proc. Natl. Acad. Sci. U.S.A. 1987, 84, 6611. (f) Energy-surface walking: Taylor, H.; Simmons, J. J. Phys. Chem. 1985, 89, 684. (g) Random tweak: Shankin, P. S.; Yarmush, D. L.; Fine, R. M.; Wang, H.; Levinthal, C. Biopolymers 1987, 26, 2053. (h) Random incremental pulse search: Ferguson, D. M.; Raber, D. J. J. Am. Chem. Soc. 1989, 111, 4371. (i) Internal coordinate randomizing method: Chang, G.; Guide, W. C.; Still, W. C.
- (a) Distance geometry: Crippen, G. M.; Havel, T. H. Distance Geometry and Molecular Conformation; John Wiley & Sons, Inc.: New York, 1988. (b) Simulated annealing: Wilson, S. R.; Cui, W.; Moskowitz, J. W.; Schmidt, K. E. Tetrahedron Lett. 1988, 29, 4373. (c) Stochastic search: Saunders, M. J. Am. Chem. Soc. 1987, 109, 3150. (d) Ellipsoid algorithm: Billeter, M.; Howard, A. E.; Kuntz, I. D.; Kollman, P. A. J. Am. Chem. Soc. 1988, 1 10, 8385. (e) Monte Carlo: Li, Z.; Scheraga, H. A. Proc. Natl. Acad. Sci. U.S.A. 1987, 84, 6611. (f) Energy-surface walking: Taylor, H.; Simmons, J. J. Phys. Chem. 1985, 89, 684. (g) Random tweak: Shankin, P. S.; Yarmush, D. L.; Fine, R. M.; Wang, H.; Levinthal, C. Biopolymers 1987, 26, 2053. (h) Random incremental pulse search: Ferguson, D. M.; Raber, D. J. J. Am. Chem. Soc. 1989, 111, 4371. (i) Internal coordinate randomizing method: Chang, G.; Guide, W. C.; Still, W. C. J. Am. Chem. Soc. 1989, 111, 4379.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 4379
- Crippen, G.M.¹ Havel, T.H.²

2
- 85022476165
- Submitted for publication
- Tree search (b) MULTIC: Lipton, M.; Still, W. C. J. Comput. Chem. 1988, 9, 343. (c) RINGMAKER: Still, W. C. In Current Trends in Organic Synthesis; Nozaki, H., Ed.; Pergamon Press: Oxford (d) Chain closure: Bruccoleri, R. E.; Karplus, M. Macromolecules 1985, 18, 2767. (e) Generic shape method: Gerber, P. R.; Gubernator, K.; Muller, K. Helv. Chim. Acta 1988, 71, 1429
- (a) Tree search: Osawa, E.; Imai, K.; Fujiyoshi, T.; Jaime, C.; Ma, P.; Masamune, S. Submitted for publication in J. Am. Chem. Soc. (b) MULTIC: Lipton, M.; Still, W. C. J. Comput. Chem. 1988, 9, 343. (c) RINGMAKER: Still, W. C. In Current Trends in Organic Synthesis; Nozaki, H., Ed.; Pergamon Press: Oxford, 1983; p 233–246. (d) Chain closure: Bruccoleri, R. E.; Karplus, M. Macromolecules 1985, 18, 2767. (e) Generic shape method: Gerber, P. R.; Gubernator, K.; Muller, K. Helv. Chim. Acta 1988, 71, 1429.
- (1983) J. Am. Chem. Soc. , pp. 233-246
- Osawa, E.¹ Imai, K.² Fujiyoshi, T.³ Jaime, C.⁴ Ma, P.⁵ Masamune, S.⁶

3
- 0004151408
- Molecular Mechanics
- ACS Monograph American Chemical Society Washington, DC
- Burkert, U.; Allinger, N. L. Molecular Mechanics; ACS Monograph 177; American Chemical Society: Washington, DC 1982.
- (1982) , vol.177
- Burkert, U.¹ Allinger, N.L.²

4
- 0000347651
- Iratcabal, P.: Liotard, D. J. Am. Chem. Soc. 1988, 110, 4919.
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 4919
- Iratcabal, P.¹ Liotard, D.²

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