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Journal of Physics Condensed Matter

Volumn 14, Issue 11, 2002, Pages 2957-2973

Applications of ab initio atomistic simulations to biology

(1) Segall, Matthew D a,b

a Camitro (UK) Ltd (United Kingdom)

b UNIVERSITY OF CAMBRIDGE (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BIOCHEMISTRY; CALCULATIONS; COMPUTER SIMULATION; ENZYMES; MATHEMATICAL MODELS; NUCLEAR MAGNETIC RESONANCE; PROTEINS; QUANTUM THEORY;

AB INITIO ATOMISTIC SIMULATIONS; BIOLOGICAL SYSTEMS; CYTOCHROME; FIRST PRINCIPLE MODELLING; METABOLIC ENZYMES; NUCLEAR MAGNETIC RESONANCE CHEMICAL SHIFTS; PHOTOREACTIVE RHODOPSIN PROTEINS;

ATOMIC PHYSICS;

EID: 0037171004 PISSN: 09538984 EISSN: None Source Type: Journal
DOI: 10.1088/0953-8984/14/11/310 Document Type: Article

Times cited : (40)

References (67)

1
- 0032752766
- (1999) Biopolymers , vol.50 , pp. 697
- Peeters, A.¹ Van Alsenoy, C.²

2
- 0032015623
- (1998) J. Comput.-Aided Mol. Des. , vol.12 , pp. 183
- De Groot, M.J.¹ Havenith, R.W.A.² Vinkers, H.M.³ Zwaans, R.⁴ Vermeulen, N.P.E.⁵ Van Lenthe, J.H.⁶

3
- 0001363007
- (2000) Chem. Rev. , vol.100 , pp. 421
- Siegbahn, P.E.M.¹ Blomberg, M.R.A.²

4
- 0032556227
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 10772
- Green, M.T.¹

5
- 11944256577
- (1992) Rev. Mod. Phys. , vol.64 , pp. 1045
- Payne, M.C.¹ Teter, M.P.² Allan, D.C.³ Arias, T.A.⁴ Joannopoulos, J.D.⁵

6
- 0031123703
- (1997) Solid State Commun. , vol.102 , pp. 107
- Parinello, M.¹

7
- 0042113153
- (1965) Phys. Rev. , vol.140
- Kohn, W.¹ Sham, L.J.²

8
- 33645426115
- (1991) Phys. Rev. B , vol.43 , pp. 1993
- Troullier, N.¹ Martins, J.L.²

9
- 20544463457
- (1990) Phys. Rev. B , vol.41 , pp. 7892
- Vanderbilt, D.¹

10
- 34247648401
- (1993) Phys. Rev. B , vol.47 , pp. 10142
- Laasonen, K.¹ Pasquarello, A.² Car, R.³ Lee, C.⁴ Vanderbilt, D.⁵

11
- 0001077864
- (1993) Phys. Rev. B , vol.48 , pp. 14944
- Juan, Y.M.¹ Kaxiras, E.²

12
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

13
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.C.³

14
- 0032507261
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 2168
- Molteni, C.¹ Parinello, M.²

15
- 0000189651
- (1993) J. Phys. Chem. , vol.98 , pp. 5648
- Becke, A.D.¹

16
- 0034493839
- (2000) Protein Sci. , vol.9 , pp. 2535
- Alber, F.¹ Carloni, P.²

17
- 0000928098
- (1999) J. Chem. Phys. , vol.110 , pp. 10452
- Eichinger, M.¹ Tavan, P.² Hutter, J.³ Parrinello, M.⁴

18
- 0000125682
- (2000) Chem. Phys. Lett. , vol.321 , pp. 113
- Murphy, R.B.¹ Philipp, D.M.² Friesner, R.A.³

19
- 0001763714
- (2000) J. Phys. Chem. A , vol.104 , pp. 1720
- Reuter, N.¹ Dejaegere, A.² Maigret, A.³ Karplus, M.⁴

20
- 0001149392
- (1977) Chem. Phys. Lett. , vol.49 , pp. 225
- Halgren, T.A.¹ Liscomb, W.N.²

21
- 85005693478
- (1993) Isr. J. Chem. , vol.33 , pp. 449
- Peng, C.Y.¹ Schlegel, H.B.²

22
- 0001516587
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 766
- Peterson, T.H.¹ Carpenter, B.K.²

23
- 0032556468
- (1998) Chem. Comm. , pp. 2445-2446
- Sandre, E.¹ Payne, M.C.² Gale, J.D.³

24
- 0024578173
- (1989) Annu. Rev. Biophys. Biophys. Chem. , vol.18 , pp. 431
- Beveridge, D.L.¹ DiCapua, F.M.²

25
- 0001702831
- (1998) J. Chem. Phys. , vol.109 , pp. 7737
- Sprik, M.¹ Ciccotti, G.²

26
- 0008791080
- (2001) Phys. World , vol.14
- Dekker, C.¹ Ratner, M.²

27
- 0027678070
- (1993) Nature , vol.365 , pp. 628
- Greenham, N.C.¹ Moratti, S.C.² Bradley, D.D.C.³ Friend, R.H.⁴ Holmes, A.B.⁵

28
- 0034323352
- (2000) J. Chem. Phys. , vol.113 , pp. 7102
- Putrino, A.¹ Sebastiani, D.² Parrinello, M.³

29
- 0003631066
- (New York: Plenum)
- (1996) Cytochrome P450. Structure, Mechanism and Biochemistry, 2nd Edn
- Ortiz De Montellano, P.R.¹

30
- 0000767074
- (2000) Chem. Rev. , vol.100 , pp. 407
- Loew, G.H.¹ Harris, D.L.²

31
- 0022919721
- (1986) Biochemistry , vol.25 , pp. 5314
- Poulos, T.L.¹ Finzel, B.C.² Howard, A.J.³

32
- 0023645035
- (1987) J. Mol. Biol. , vol.195 , pp. 687
- Poulos, T.L.¹ Finzel, B.C.² Howard, A.J.³

33
- 0024974060
- (1989) Biochemistry , vol.28 , pp. 7586
- Raag, R.¹ Poulos, T.L.²

34
- 0025761693
- (1991) Biochemistry , vol.30 , pp. 2674
- Raag, R.¹ Poulos, T.L.²

35
- 0027258737
- (1993) Biochemistry , vol.32 , pp. 4571
- Raag, R.¹ Li, H.² Jones, B.C.³ Poulos, T.L.⁴

36
- 0001664118
- (2000) J. Comput. Chem. , vol.21 , pp. 1442
- Murphy, R.B.¹ Philipp, D.M.² Freisner, R.A.³

37
- 0032500330
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 8941
- Harris, D.L.¹ Loew, G.H.²

38
- 0031965231
- (1998) Xenobiotica , vol.28 , pp. 15
- Segall, M.D.¹ Payne, M.C.² Ellis, S.W.³ Tucker, G.T.⁴ Boyes, R.⁵

39
- 0001010212
- (1998) Phys. Rev. E , vol.57 , pp. 4618
- Segall, M.D.¹ Payne, M.C.² Ellis, S.W.³ Tucker, G.T.⁴ Boyes, R.N.⁵

40
- 33845379583
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 5018
- Fisher, M.¹ Sligar, S.²

41
- 0032806249
- (1998) Xenobiotica , vol.29 , pp. 561
- Segall, M.D.¹ Payne, M.C.² Ellis, S.W.³ Tucker, G.T.⁴ Eddershaw, P.J.⁵

42
- 0003789562
- (London: Taylor and Francis)
- (1996) Cytochromes P450: Structure, Function and Mechanism
- Lewis, D.F.V.¹

43
- 0032513701
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 4308
- Harris, D.¹ Loew, G.² Waskell, L.³

44
- 0034088779
- (2000) Science , vol.287 , pp. 1615
- Schlichting, I.¹

45
- 0029741968
- ed R Snyder (New York: Plenum); ch 44
- (1996) Biological Reactive Intermediates , vol.5 , pp. 361-369
- Korzekwa, K.R.¹ Grogan, J.² DeVito, S.³ Jones, J.P.⁴

46
- 0028017506
- (1994) Biochemistry , vol.33 , pp. 10878
- Jäger, F.¹ Fahmy, K.² Sakmar, T.P.³

47
- 0028266198
- (1994) Biophys. , vol.66 , pp. 1129
- Deng, H.¹ Huang, L.W.² Callender, R.³ Ebrey, T.⁴

48
- 0026091595
- (1991) Science , vol.254 , pp. 412
- Schoenlein, R.W.¹ Peteanu, L.A.² Mathies, R.A.³ Shank, C.V.⁴

49
- 0033616112
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 12177
- Molteni, C.¹ Frank, I.² Parrinello, M.³

50
- 0034925224
- (2001) Comput. Mater. Sci. , vol.20 , pp. 311
- Molteni, C.¹ Frank, I.² Parinello, M.³

51
- 0000074308
- (1998) J. Chem. Phys. , vol.108 , pp. 4060
- Frank, I.¹ Hutter, J.² Marx, D.³ Parrinello, M.⁴

52
- 33748595259
- (1996) J. Phys. Chem. , vol.100 , pp. 18586
- Logunov, S.L.¹ Song, L.² El-Sayed, M.A.³

53
- 0004000681
- (Oxford: Oxford University Press)
- (1995) Biomolecular NMR Spectroscopy
- Evans, J.N.S.¹

54
- 1242268874
- (1996) J. Chem. Phys. , vol.104 , pp. 5497
- Cheeseman, J.R.¹ Trucks, G.W.² Keith, T.A.³ Frisch, M.J.⁴

55
- 0001109404
- (1996) Phys. Rev. Lett. , vol.77 , pp. 5300
- Mauri, F.¹ Pfrommer, B.G.² Louie, S.G.³

56
- 4243949207
- (2001) Phys. Rev. B , vol.6324 , pp. 5101
- Pickard, C.J.¹ Mauri, F.²

57
- 0027199085
- (1993) Biophys. J. , vol.65 , pp. 899
- Han, M.¹ Dedecker, B.S.² Smith, S.O.³

58
- 0003507767
- (Oxford: Oxford University Press)
- (1997) The Colours of Life: An Introduction to the Chemistry of Porphyrins and Related Compounds
- Milgrom, L.R.¹

59
- 0035967747
- (2001) J. Org. Chem. , vol.66 , pp. 4476
- Mak, C.C.¹ Bampos, N.² Darlin, S.L.³ Montalti, M.⁴ Prodi, L.⁵ Sanders, J.K.M.⁶

60
- 0008794686
- in preparation
- Yates, J.R.¹ Pickard, J.C.² Mauri, F.³ Segall, M.D.⁴ Payne, M.C.⁵

61
- 0002228715
- ed A B P Lever (Amsterdam: Elsevier)
- (1996) Coordination Chemistry Reviews , vol.150
- Bertini, I.¹ Luchinat, C.²

62
- 0033246389
- (1999) Rev. Mod. Phys. , vol.71 , pp. 1085
- Goedecker, S.¹

63
- 0034351063
- (2000) Phys. Rev. Lett. , vol.85 , pp. 4992
- De Pablo, P.J.¹ Moreno-Herrero, F.² Colchero, J.³ Herrero, J.G.⁴ Herrero, P.⁵ Baro, A.M.⁶ Ordejon, P.⁷ Soler, J.M.⁸ Artacho, E.⁹

64
- 0000634970
- (2000) Mol. Simulat. , vol.25 , pp. 239
- Bowler, D.R.¹ Gillan, M.J.²

65
- 0008803118

66
- 0029878720
- (1996) J. Mol. Graphics , vol.14 , pp. 33
- Humphrey, W.¹ Dalke, A.² Schulten, K.³

67
- 0026352457
- (1991) Biochemistry , vol.33 , pp. 11420
- Raag, R.¹ Martinis, S.A.² Sligar, S.G.³ Poulos, T.L.⁴

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