SCOPUS 정보 검색 플랫폼

Journal of Molecular Structure: THEOCHEM

Volumn 580, Issue 1-3, 2002, Pages 251-262

Theoretical study of the amino acid interactions in the binding region of the trypsin-pancreatic trypsin inhibitor complex

(2) Melo, André a Ramos, Maria João a

a UNIVERSITY OF PORTO (Portugal)

Author keywords

Amino acid mutations; Binding; Free energy simulation; Pancreatic trypsin inhibitor; Trypsin

Indexed keywords

AMINO ACID; APROTININ; TRYPSIN;

CALCULATION; CHEMICAL STRUCTURE; COMPLEX FORMATION; CONFERENCE PAPER; ENERGY; HYDROPHILICITY; SIMULATION; THEORETICAL STUDY; THERMODYNAMICS;

EID: 0037192687 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(01)00621-2 Document Type: Conference Paper

Times cited : (3)

References (58)

1
- 0028213323
- (1994) Curr. Opin. Struct. Biol. , vol.4 , pp. 240
- Kollman, P.A.¹

2
- 0031320150
- (1997) Curr. Opin. Chem. Biol. , vol.1 , pp. 449
- Lamb, M.L.¹ Jorgensen, W.L.²

3
- 0038429370
- G. Naray-Szabó, A. Warshel (Eds.), Kluwer Academic Publishers, Dordrecht, Rever
- (1997) Computational Approaches to Biochemical Reactivity , pp. 363-374
- Lybrand, T.P.¹

4
- 0032054612
- (1998) Curr. Opin. Struct. Biol. , vol.8 , pp. 245
- McCammon, J.A.¹

5
- 0001486087
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 3830
- Wong, C.F.¹ McCammon, J.A.²

6
- 0029847276
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 8531
- Bencsura, A.¹ Enyedy, I.Y.² Kovach, I.M.³

7
- 0029819049
- (1996) Biochem. J. , vol.316 , pp. 777
- Sreedharan, S.K.¹ Verma, C.² Caves, L.S.D.³ Brocklehurst, S.M.⁴ Gharbia, S.E.⁵ Shah, H.N.⁶ Brocklehurst, K.⁷

8
- 0001382020
- (1996) J. Comput. Chem. , vol.17 , pp. 1587
- Åqvist, J.¹

9
- 0030840144
- (1997) J. Peptide Res. , vol.50 , pp. 382
- Melo, A.¹ Ramos, M.J.²

10
- 0031275544
- (1997) J. Phys. Chem. B , vol.101 , pp. 9663
- Essex, J.W.¹ Severance, D.L.² Tirado-Rives, J.³ Jorgensen, W.L.⁴

11
- 0008871619
- G. Vergoten, T. Theophanides (Eds.), Kluwer Academic Publishers, Dordrecht, Rever
- (1997) Biomolecular Structure and Dynamics , pp. 21-34
- Jorgensen, W.L.¹ Duffy, E.M.² Essex, J.W.³ Severance, D.L.⁴ Blake, J.F.⁵ Jones-Hertzog, D.K.⁶ Lamb, M.L.⁷ Tirado-Rives, J.⁸

12
- 0032058875
- (1998) J. Comput.-Aided Mol. Des. , vol.12 , pp. 215
- Radmer, R.J.¹ Kollman, P.A.²

13
- 0032481614
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 1920
- Guo, Z.¹ Brooks C.L. III²

14
- 0000381173
- (1998) J. Phys. Chem. B , vol.102 , pp. 2032
- Guo, Z.¹ Brooks C.L. III² Kong, X.³

15
- 0000260421
- (1999) Int. J. Quant. Chem. , vol.74 , pp. 299
- Ramos, M.J.¹ Melo, A.² Henriques, E.S.³ Gomes, J.A.N.F.⁴ Reuter, N.⁵ Maigret, B.⁶ Floriano, W.B.⁷ Nascimento, M.A.C.⁸

16
- 0001008708
- (1993) J. Phys. Chem. , vol.97 , pp. 12959
- Tobias, D.J.¹ Martyna, G.J.² Klein, M.L.³

17
- 0000576644
- (1994) J. Phys. Chem. , vol.98 , pp. 12782
- Xiang, Z.X.¹ Huang, F.H.² Shi, Y.Y.³

18
- 0028986918
- (1995) J. Mol. Biol. , vol.246 , pp. 356
- Smith, P.E.¹ Van Shaik, R.C.² Szyperski, T.³ Wuthrich, K.⁴ Van Gunsteren, W.F.⁵

19
- 0029665693
- (1996) Biochemistry , vol.35 , pp. 7819
- Antosiewicz, J.¹ McCammon, J.A.² Gilson, M.K.³

20
- 0000790849
- (1996) J. Comput. Chem. , vol.17 , pp. 1453
- Cheng, B.¹ Nayeem, A.² Scheraga, H.A.³

21
- 0001765772
- (1997) J. Comput. Chem. , vol.18 , pp. 1072
- Augspurger, J.D.¹ Scheraga, H.A.²

22
- 0032519437
- (1998) Proteins: Struct., Funct., Genet. , vol.39 , pp. 215
- Eastman, P.¹ Doniach, S.²

23
- 0000053123
- (1998) J. Chem. Phys. , vol.110 , pp. 10141
- Eastman, P.¹ Pellegrini, M.² Doniach, S.³

24
- 0008823610
- (1999) J. Comput. Chem. , vol.20 , pp. 713
- Kikuchi, T.¹

25
- 0000060111
- (1999) Comput. Chem. , vol.23 , pp. 153
- Reams, R.¹ Chatham, G.² Glunt, W.³ McDonald, D.⁴ Hayden, T.⁵

26
- 0018873523
- (1980) Annu. Rev. Biochem. , vol.49 , pp. 593
- Laskowski M., Jr.¹ Kato, I.²

27
- 84977303841
- (1983) Acta Crystallogr. B , vol.39 , pp. 480
- Marquart, M.¹ Walter, J.² Deisenhofer, J.³ Bode, W.⁴ Huber, R.⁵

28
- 0021603710
- (1984) J. Mol. Biol. , vol.180 , pp. 301
- Wlodawer, A.¹ Walter, J.² Huber, R.³ Sjölin, L.⁴

29
- 0030040589
- (1996) Acta Crystallogr. D , vol.52 , pp. 18
- Parkin, S.¹ Rupp, B.² Hope, H.³

30
- 0017257628
- (1976) J. Mol. Biol. , vol.100 , pp. 197
- Janin, J.¹ Chothia, C.²

31
- 0008869554
- (1976) Miami Winter Symp. , vol.11 , pp. 43
- Bode, W.¹ Schwager, P.² Huber, R.³

32
- 0028354926
- (1994) J. Mol. Biol. , vol.236 , pp. 1049
- Lau, F.T.K.¹ Karplus, M.²

33
- 0001173794
- (1995) Mol. Simul. , vol.15 , pp. 155
- Cummins, P.L.¹ Gready, J.E.²

34
- 0029844655
- (1996) Protein Engng , vol.9 , pp. 767
- Rao, B.G.¹ Murcko, M.A.²

35
- 0032488817
- (1998) J. Mol. Biol. , vol.275 , pp. 823
- Archontis, G.¹ Simonson, T.² Moras, D.³ Karplus, M.⁴

36
- 0032469463
- (1998) Protein Sci. , vol.7 , pp. 1750
- Rick, S.W.¹ Topol, I.A.² Erickson, J.W.³ Burt, S.K.⁴

37
- 0032793576
- (1999) Proteins: Struct., Funct., Genet. , vol.36 , pp. 471
- Dixon, R.W.¹ Kollman, P.²

38
- 0033545623
- (1999) J. Med. Chem. , vol.42 , pp. 868
- Eriksson, O.¹ Pitera, J.² Kollman, P.A.³

39
- 0032991111
- (1999) J. Comput.-Aided Mol. Des. , vol.13 , pp. 109
- McCarrick, M.A.¹ Kollman, P.A.²

40
- 0004016501
- (1983) J. Chem. Phys. , vol.79 , pp. 926
- Jorgensen, W.L.¹ Chandrasekhar, J.² Madura, J.³ Impey, R.W.⁴ Klein, M.L.⁵

41
- 36849122972
- (1954) J. Chem. Phys. , vol.22 , pp. 1420
- Zwanzig, R.W.¹

42
- 33646471468
- (1935) J. Chem. Phys. , vol.3 , pp. 300
- Kirkwood, J.G.¹

43
- 0004504539
- (1985) J. Chem. Phys. , vol.83 , pp. 3050
- Jorgensen, W.L.¹ Ravimohan, C.²

44
- 0001051042
- (1986) J. Phys. Chem. , vol.90 , pp. 6680
- Brooks C.L. III¹

45
- 0025732376
- (1991) Biochemistry , vol.30 , pp. 3217
- Tidor, B.¹ Karplus, M.²

46
- 33750587438
- (1984) J. Chem. Phys. , vol.81 , pp. 3684
- Berendsen, H.J.C.¹ Postma, J.P.M.² Van Gunsteren, W.F.³ DiNola, A.⁴ Haak, J.R.⁵

47
- 33646940952
- (1977) J. Comput. Phys. , vol.23 , pp. 327
- Ryckaert, J.P.¹ Ciccoti, G.² Berendsen, H.J.C.³

48
- 84986512474
- (1983) J. Comput. Chem. , vol.4 , pp. 187
- Brooks, B.R.¹ Bruccoleri, R.E.² Olafson, B.D.³ States, D.⁴ Swaminanthan, S.⁵ Karplus, M.⁶

49
- 33847194737
- (1989) J. Chem. Phys. , vol.91 , pp. 6359
- Cao, J.¹ Berne, B.J.²

50
- 0000945185
- (1995) J. Chem. Phys. , vol.103 , pp. 5720
- Fernandes, P.A.¹ Carvalho, A.P.² Ramalho, J.P.P.³

51
- 36449004340
- (1993) J. Chem. Phys. , vol.98 , pp. 8946
- Pearlman, D.A.¹

52
- 84986533552
- (1994) J. Comput. Chem. , vol.15 , pp. 105
- Pearlman, D.A.¹

53
- 0016089567
- (1974) Sci. Am. , vol.231 , pp. 74
- Stroud, R.M.¹

54
- 0017324044
- (1977) Annu. Rev. Biochem. , vol.46 , pp. 331
- Kraut, J.¹

55
- 0001348705
- (1998) J. Phys. Chem. , vol.102 , pp. 4404
- Hendsch, Z.S.¹ Sindelar, C.V.² Tidor, B.³

56
- 84962348955
- (1998) Proteins: Struct., Funct., Genet. , vol.32 , pp. 67
- Barril, X.¹ Aleman, C.² Orozco, M.³ Luque, F.L.⁴

57
- 0031165571
- (1997) J. Chem. Phys. , vol.106 , pp. 8681
- Lee, L.-P.¹ Tidor, B.²

58
- 21944443282
- (1998) J. Chem. Phys. , vol.109 , pp. 7522
- Kangas, E.¹ Tidor, B.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.