SCOPUS 정보 검색 플랫폼

Journal of the American Chemical Society

Volumn 123, Issue 17, 2001, Pages 3986-3994

An analysis of the interactions between the Sem-5 SH3 domain and its ligands using molecular dynamics, free energy calculations, and sequence analysis

(7) Wang, W a Lim, W A a,b Jakalian, A c,d Wang, J a,a,e Luo, R a Bayly, C I c Kollman, P A a

a UNIVERSITY OF CALIFORNIA (United States)

b UNIVERSITY OF CALIFORNIA (United States)

c MERCK FROSST CENTRE FOR THERAPEUTIC RESEARCH (Canada)

d BOEHRINGER INGELHEIM CANADA LTD (Canada)

e Ligand Pharmaceutical (United States)

Author keywords

[No Author keywords available]

Indexed keywords

SEQUENCE ANALYSIS;

BINDING ENERGY; FREE ENERGY; MOLECULAR DYNAMICS; NITROGEN COMPOUNDS;

PROTEINS;

PROTEIN SEM 5; STRUCTURAL PROTEIN; UNCLASSIFIED DRUG;

AMINO ACID SEQUENCE; ARTICLE; BINDING AFFINITY; CAENORHABDITIS ELEGANS; ENERGY TRANSFER; NONHUMAN; PROTEIN PROTEIN INTERACTION; PROTEIN STRUCTURE; SEQUENCE ANALYSIS; SEQUENCE HOMOLOGY;

ANIMALS; BINDING SITES; CAENORHABDITIS ELEGANS; CAENORHABDITIS ELEGANS PROTEINS; COMPUTER SIMULATION; HELMINTH PROTEINS; LIGANDS; MOLECULAR CONFORMATION; MUTATION; PROTEIN BINDING; PROTEIN FOLDING; SRC HOMOLOGY DOMAINS; THERMODYNAMICS;

EID: 0034789590 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja003164o Document Type: Article

Times cited : (130)

References (32)

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

2
- 0024578173
- (1989) Annu. Rev. Biophys. Biophys. Chem. , vol.18 , pp. 431-492
- Beveridge, D.L.¹ Dicapua, F.M.²

3
- 0002531265
- Van Gunsteren, W. F., Weiner, P. K., Eds.; ESCOM: Leiden
- (1989) Computer Simulation of Biomolecular Systems , pp. 27-59
- Van Gunsteren, W.F.¹

4
- 0032560959
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 9401-9409
- Srinivasan, J.¹ Cheatham, T.E.² Cieplak, P.³ Kollman, P.A.⁴ Case, D.A.⁵

5
- 0033568644
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 8133-8143
- Massova, I.¹ Kollman, P.A.²

6
- 0029011701
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 5179-5197
- Cornell, W.D.¹ Cieplak, P.² Bayly, C.I.³ Gould, I.R.⁴ Merz, K.M.⁵ Ferguson, D.M.⁶ Spellmeyer, D.C.⁷ Fox, T.⁸ Caldwell, J.W.⁹ Kollman, P.A.¹⁰

7
- 0028331255
- (1994) Curr. Opin. Struct. Biol. , vol.4 , pp. 285-290
- Case, D.A.¹

8
- 0028895654
- (1995) Cell , vol.80 , pp. 237-248
- Cohen, G.B.¹ Ren, R.² Baltimore, D.³

9
- 0030950608
- (1997) Annu. Rev. Biophys. Biomol. Struct. , vol.26 , pp. 259-288
- Kuriyan, J.¹ Cowburn, D.²

10
- 0031457622
- (1997) Science , vol.278 , pp. 2075-2080
- Pawson, T.¹ Scott, J.D.²

11
- 0026608178
- (1992) Nature , vol.356 , pp. 340-344
- Clark, S.G.¹ Stern, M.J.² Horvitz, H.R.³

12
- 0027404990
- (1993) Cell , vol.73 , pp. 169-177
- Simon, M.A.¹ Dodson, G.S.² Rubin, G.M.³

13
- 0027468233
- (1993) Cell , vol.73 , pp. 179-191
- Olivier, J.P.¹

14
- 0028129906
- (1994) Protein Sci. , vol.3 , pp. 1261-1266
- Lim, W.A.¹ Fox, R.O.² Richards, F.M.³

15
- 0032509175
- (1998) Science , vol.282 , pp. 2088-2092
- Nguyen, J.T.¹ Turck, C.W.² Cohen, F.E.³ Zuckermann, R.N.⁴ Lim, W.A.⁵

16
- 0001041959
- (2000) J. Comput. Chem. , vol.21 , pp. 132-146
- Jakalian, A.¹ Bush, B.L.² Jack, D.B.³ Bayly, C.I.⁴

17
- 0003285459
- Manuscript in preparation
- (2000)
- Jakalian, A.¹ Bush, B.L.² Jack, D.B.³ Bayly, C.⁴

18
- 0028410481
- (1994) Nat. Struct. Biol. , vol.1 , pp. 221-225
- Lim, W.A.¹ Richards, F.M.²

19
- 0029633186
- (1995) Comput. Phys. Commun. , vol.91 , pp. 1-41
- Pearlman, D.A.¹ Case, D.A.² Caldwell, J.W.³ Ross, W.S.⁴ Cheatham, T.E.⁵ Debolt, S.⁶ Ferguson, D.⁷ Seibel, G.⁸ Kollman, P.A.⁹

20
- 0004016501
- (1983) J. Chem. Phys. , vol.79 , pp. 926-935
- Jorgensen, W.L.¹ Chandrasekhar, J.² Madura, J.³ Impey, R.W.⁴ Klein, M.L.⁵

21
- 0023977089
- (1988) J. Mol. Graphics , vol.6 , pp. 13-27
- Ferrin, T.E.¹ Huang, C.C.² Jarvis, L.E.³ Langridge, R.⁴

22
- 33846823909
- (1993) J. Chem. Phys. , vol.98 , pp. 10089-10092
- Darden, T.A.¹ York, D.M.² Pedersen, L.³

23
- 33646940952
- (1977) J. Comput. Phys. , vol.23 , pp. 327-341
- Rychaert, J.P.¹ Ciccotti, G.² Berendsen, H.J.C.³

24
- 0034521981
- (2000) Acc. Chem. Res. , vol.33 , pp. 889-897
- Kollman, P.A.¹ Massova, I.² Reyes, C.M.³ Kuhn, B.⁴ Huo, S.⁵ Chong, L.T.⁶ Lee, M.R.⁷ Lee, T.S.⁸ Duan, Y.⁹ Wang, W.¹⁰ Donini, O.¹¹ Cieplak, P.¹² Srinivasan, J.¹³ Case, D.A.¹⁴ Cheatham, T.E.¹⁵

25
- 84988087911
- (1987) J. Comput. Chem. , vol.9 , pp. 327-335
- Gilson, M.K.¹ Sharp, K.A.² Honig, B.H.³

26
- 0034602373
- (2000) J. Mol. Bol. , vol.303 , pp. 567-582
- Wang, W.¹ Kollman, P.A.²

27
- 32844457567
- (1994) J. Phys. Chem. , vol.98 , pp. 1978-1988
- Sitkoff, D.¹ Sharp, K.A.² Honig, B.³

28
- 3042524904
- (1993) J. Phys. Chem. , vol.97 , pp. 10269-10280
- Bayly, C.I.¹ Cieplak, P.² Cornell, W.D.³ Kollman, P.A.⁴

29
- 0030040323
- (1996) Biopolymers , vol.38 , pp. 305-320
- Sanner, M.F.¹ Olson, A.J.² Spehner, J.C.³

30
- 0030801002
- (1997) Nucleic Acids Res. , vol.25 , pp. 3389-3402
- Altschul, S.F.¹ Madden, T.L.² Schaffer, A.A.³ Zhang, J.H.⁴ Zhang, Z.⁵ Miller, W.⁶ Lipman, D.J.⁷

31
- 0032496419
- (1998) J. Mol. Biol. , vol.278 , pp. 655-666
- Ptitsyn, O.B.¹

32
- 0033588067
- (1999) J. Mol. Biol. , vol.291 , pp. 671-682
- Ptitsyn, O.B.¹ Ting, K.L.H.²

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