SCOPUS 정보 검색 플랫폼

Journal of the American Chemical Society

Volumn 124, Issue 29, 2002, Pages 8644-8652

Fluoride-selective binding in a new deep cavity calix[4]pyrrole: Experiment and theory

(8) Woods, Christopher J a Camiolo, Salvatore a Light, Mark E a Coles, Simon J a Hursthouse, Michael B a King, Michael A b Gale, Philip A a Essex, Jonathan W a

a UNIVERSITY OF SOUTHAMPTON (United Kingdom)

b UCB PHARMA (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONITRILE; BINDING ENERGY; COMPUTER SIMULATION; CRYSTAL STRUCTURE; DERIVATIVES; ELECTROSTATICS; FLUORINE COMPOUNDS; FREE ENERGY; MONTE CARLO METHODS; NUCLEAR MAGNETIC RESONANCE; OPTIMIZATION; PERTURBATION TECHNIQUES; POISSON EQUATION; TITRATION; X RAY ANALYSIS;

BINDING BEHAVIOR;

AROMATIC COMPOUNDS;

CALIXARENE; CALIX[4]PYRROLE; DIMETHYL SULFOXIDE; FLUORIDE; PYRROLE DERIVATIVE; UNCLASSIFIED DRUG; WATER;

ARTICLE; CHEMICAL BINDING; CHEMICAL INTERACTION; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; ENERGY TRANSFER; EXPERIMENT; MONTE CARLO METHOD; NUCLEAR MAGNETIC RESONANCE; RECEPTOR BINDING; SIMULATION; SYNTHESIS; THEORY;

EID: 0037167005 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja025572t Document Type: Article

Times cited : (128)

References (38)

1
- 0033533407
- (1999) Chem. Commun. , pp. 1723-1724
- Miyaji, H.¹ Anzenbacher P., Jr.² Sessler, J.L.³ Bleasdale, E.R.⁴ Gale, P.A.⁵

2
- 0033592352
- (1999) Chem. Commun. , pp. 1851-1852
- Gale, P.A.¹ Twyman, L.J.² Handlin, C.I.³ Sessler, J.L.⁴

3
- 0031833921
- (1998) Chem. Eur. J. , vol.4 , pp. 1095-1099
- Sessler, J.L.¹ Gale, P.A.² Genge, J.W.³

4
- 0342929614
- (1977) J. Comput. Phys. , vol.23 , pp. 187-199
- Torrie, G.M.¹ Valleau, J.P.²

5
- 84986519238
- (1992) J. Comput. Chem. , vol.13 , pp. 1011-1021
- Kumar, S.¹ Bouzida, D.² Swendsen, R.H.³ Kollman, P.A.⁴ Rosenberg, J.M.⁵

6
- 0001186767
- (1996) J. Comput. Chem. , vol.17 , pp. 1269-1275
- Kumar, S.¹ Payne, P.W.² Vasquez, M.³

7
- 2142724735
- (1998) Chem. Commun. , pp. 1-8
- Gale, P.A.¹ Sessler, J.L.² Král, V.³

8
- 0034793619
- (2001) Coord. Chem. Rev. , vol.222 , pp. 57-122
- Gale, P.A.¹ Anzenbacher P., Jr.² Sessler, J.L.³

9
- 1842813918
- (1997) Chem. Commun. , pp. 665-666
- Gale, P.A.¹ Sessler, J.L.² Allen, W.E.³ Tvermoes, N.A.⁴ Lynch, V.⁵

10
- 0344031616
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 11020-11021
- Anzenbacher, P.¹ Jursikova, K.² Lynch, V.M.³ Gale, P.A.⁴ Sessler, J.L.⁵

11
- 0002746602
- (1999) Chem. Commun. , pp. 2413-2414
- Bonomo, L.¹ Solari, E.² Toraman, G.³ Scopelliti, R.⁴ Latronico, M.⁵ Floriani, C.⁶

12
- 0034617156
- (2000) Chem. Commun. , pp. 1129-1130
- Camiolo, S.¹ Gale, P.A.²

13
- 0003763724
- (1998) Collect data collection software
- Nonius, B.V.¹

14
- 84868137726
- Processing of x-ray diffraction data collected in oscillation mode
- Macromolecular Crystallography
- Otwinowski, Z.¹ Minor, W.²

15
- 0031059866
- Academic Press: San Diego
- (1997) Methods in Enzymology , vol.276 , Issue.PART A , pp. 307-326
- Carter C.W., Jr.¹ Sweet, R.M.²

16
- 0003666167
- University of Glasgow, Scotland, UK, Nonius B.V., Delft, The Netherlands, and MacScience Co. Ltd., Yokohama, Japan
- (1998) maXus: a computer program for the solution and refinement of crystal structures from diffraction data
- Mackay, S.¹ Gilmore, C.J.² Edwards, C.³ Tremayne, M.⁴ Stuart, N.⁵ Shankland, K.⁶

17
- 84977289324
- (1995) Acta Crystallogr. , vol.A51 , pp. 33
- Blessing, R.H.¹

18
- 0642270732
- (1997) J. Appl. Crystallogr. , vol.30 , pp. 421
- Blessing, R.H.¹

19
- 0004150157
- Institüt für Anorganische Chemie der Universität, Tammanstrasse 4, D-3400 Göttingen, Germany
- (1998) SHELX97: Programs for Crystal Structure Analysis (Release 97-2)
- Sheldrick, G.M.¹

20
- 15844390725
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 5140-5141
- Gale, P.A.¹ Sessler, J.L.² Král, V.³ Lynch, V.⁴

21
- 0035356715
- (2001) J. Org. Chem. , vol.66 , pp. 3739-3746
- Wu, Y.D.¹ Wang, D.F.² Sessler, J.L.³

22
- 0033214206
- (1999) J. Org. Chem. , vol.64 , pp. 7439-7444
- Van Hoorn, W.P.¹ Jorgensen, W.L.²

23
- 0032572125
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 5104-5111
- McDonald, M.A.¹ Duffy, E.M.² Jorgensen, W.L.³

24
- 4344606960
- (1997) J. Comput. Chem. , vol.18 , pp. 1450-1462
- Bartels, C.¹ Karplus, M.²

25
- 36849122972
- (1954) J. Chem. Phys. , vol.22 , pp. 1420-1426
- Zwanzig, R.W.¹

26
- 33751136719
- (1992) Mol. Phys. , vol.76 , pp. 251-275
- Reynolds, C.A.¹ King, P.M.² Richards, W.G.³

27
- 7044239742
- (1993) Chem. Rev. , vol.93 , pp. 2395-2417
- Kollman, P.A.¹

28
- 0029912748
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 11225-11236
- Jorgensen, W.L.¹ Maxwell, D.S.² Tirado-Rives, J.³

29
- 4243723370
- (1998) J. Phys. Chem. B , vol.102 , pp. 1787-1796
- Kaminski, G.A.¹ Jorgensen, W.L.²

30
- 0004016501
- (1983) J. Chem. Phys. , vol.79 , pp. 926-935
- Jorgensen, W.L.¹ Chandrasekhar, J.² Madura, J.D.³ Impey, R.W.⁴ Klein, M.L.⁵

31
- 84913395815
- (1988) Mol. Phys. , vol.63 , pp. 547-558
- Jorgensen, W.L.¹ Briggs, J.M.²

32
- 2142728613
- Yale University, New Haven, CT
- (1996) MCPRO 1.5
- Jorgensen, W.L.¹

33
- 0026124585
- (1991) Comput. Phys. Commun. , vol.62 , pp. 187-197
- Davis, M.E.¹ Madura, J.D.² Luty, B.A.³ McCammon, J.A.⁴

34
- 0001692244
- (1996) J. Chem. Phys. , vol.6 , pp. 2414-2423
- Kong, X.¹ Brooks, C.L.²

35
- 2142678101
- (1995) Comput. Phys. Commun. , pp. 275-282
- Roux, B.¹

36
- 0001114361
- (1999) J. Chem. Phys. , vol.111 , pp. 8048-8067
- Bartels, C.¹ Schaefer, M.² Karplus, M.³

37
- 0031167555
- (1997) J. Phys. Chem. , vol.101 , pp. 5239-5248
- Nina, M.¹ Beglov, D.² Roux, B.³

38
- 0035277126
- (2001) Comput. Phys. Commun. , pp. 40-57
- Souaille, M.¹ Roux, B.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.