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ChemPhysChem

Volumn 8, Issue 17, 2007, Pages 2445-2451

Different protonation equilibria of 4-methylimidazole and acetic acid

(2) Gu, Wei a Helms, Volkhard a

a SAARLAND UNIVERSITY (Germany)

Author keywords

Amino acids; Hydrogen bonds; Molecular dynamics; Proton diffusion; Proton transport

Indexed keywords

ACETIC ACID; AMINO ACIDS; HYDROGEN BONDS; MOLECULAR DYNAMICS; PH; PROTONATION;

ACID MOLECULES; DYNAMIC PROTONATION; METHYLIMIDAZOLE; MOLECULAR DYNAMICS SIMULATIONS; PROTON DIFFUSION; PROTON TRANSPORT; PROTONATION EQUILIBRIA; WATER MOLECULE;

MOLECULES;

EID: 36849079402 PISSN: 14394235 EISSN: 14397641 Source Type: Journal
DOI: 10.1002/cphc.200700442 Document Type: Article

Times cited : (4)

References (51)

1
- 0028890031
- S. Iwata, C. Ostermeier, B. Ludwig, H. Michel, Nature 1995, 376, 660-669.
- (1995) Nature , vol.376 , pp. 660-669
- Iwata, S.¹ Ostermeier, C.² Ludwig, B.³ Michel, H.⁴

2
- 0033576277
- H. Michel, Biochemistry 1999, 38, 15 129-15 140.
- (1999) Biochemistry , vol.38
- Michel, H.¹

3
- 0032479524
- S. Iwata, J. W. Lee, K. Okada, J. K. Lee, M. Iwata, B. Rasmussen, T. A. Link, S. Ramaswamy, B. K. Jap, Science 1998, 281, 64-71.
- (1998) Science , vol.281 , pp. 64-71
- Iwata, S.¹ Lee, J.W.² Okada, K.³ Lee, J.K.⁴ Iwata, M.⁵ Rasmussen, B.⁶ Link, T.A.⁷ Ramaswamy, S.⁸ Jap, B.K.⁹

4
- 0030867866
- D. Xia, C.-A. Yu, H. Kim, J.-Z. Xia, A. M. Kachurin, L. Zhang, L. Yu, J. Deisenhofer, Science 1997, 277, 60-66.
- (1997) Science , vol.277 , pp. 60-66
- Xia, D.¹ Yu, C.-A.² Kim, H.³ Xia, J.-Z.⁴ Kachurin, A.M.⁵ Zhang, L.⁶ Yu, L.⁷ Deisenhofer, J.⁸

5
- 20344377632
- S. S. Jang, S. T. Lin, T. Cagin, V. Molinero, W. A. Goddard, J. Phys. Chem. B 2005, 109, 10 154-10 167.
- (2005) J. Phys. Chem. B , vol.109
- Jang, S.S.¹ Lin, S.T.² Cagin, T.³ Molinero, V.⁴ Goddard, W.A.⁵

6
- 33748969865
- D. Marx, ChemPhysChem 2006, 7, 1848-1870.
- (2006) ChemPhysChem , vol.7 , pp. 1848-1870
- Marx, D.¹

7
- 34249092919
- J. M. J. Swanson, C. M. Maupin, H. Chen, M. K. Petersen, J. Xu, Y. Wu, G. A. Voth, J. Phys. Chem. B 2007, 111, 4300-4314.
- (2007) J. Phys. Chem. B , vol.111 , pp. 4300-4314
- Swanson, J.M.J.¹ Maupin, C.M.² Chen, H.³ Petersen, M.K.⁴ Xu, J.⁵ Wu, Y.⁶ Voth, G.A.⁷

8
- 25844460787
- E. Olkhova, V. Helms, H. Michel, Biophys. J. 2005, 89, 2324-2331.
- (2005) Biophys. J , vol.89 , pp. 2324-2331
- Olkhova, E.¹ Helms, V.² Michel, H.³

9
- 0031034836
- M. E. Tuckerman, D. Marx, M. L. Klein, M. Parrinello, Science 1997, 275, 817-820.
- (1997) Science , vol.275 , pp. 817-820
- Tuckerman, M.E.¹ Marx, D.² Klein, M.L.³ Parrinello, M.⁴

10
- 0542436236
- M. E. Tuckerman, K. Laasonen, M. Sprik, M. Parrinello, J. Phys. Chem. 1995, 99, 5749-5752.
- (1995) J. Phys. Chem , vol.99 , pp. 5749-5752
- Tuckerman, M.E.¹ Laasonen, K.² Sprik, M.³ Parrinello, M.⁴

11
- 0000135791
- M. E. Tuckerman, K. Laasonen, M. Sprik, M. Parrinello, J. Chem. Phys. 1995, 103, 150-161.
- (1995) J. Chem. Phys , vol.103 , pp. 150-161
- Tuckerman, M.E.¹ Laasonen, K.² Sprik, M.³ Parrinello, M.⁴

12
- 0033580290
- D. Marx, M. E. Tuckerman, J. Hutter, M. Parrinello, Nature 1999, 397, 601-604.
- (1999) Nature , vol.397 , pp. 601-604
- Marx, D.¹ Tuckerman, M.E.² Hutter, J.³ Parrinello, M.⁴

13
- 33845595256
- D. Riccardi, P. Konig, X. Prat-Resina, H. B. Yu, M. Elstner, T. Frauenheim, Q. Cui, J. Am. Chem. Soc. 2006, 128, 16 302-16 311.
- (2006) J. Am. Chem. Soc , vol.128
- Riccardi, D.¹ Konig, P.² Prat-Resina, X.³ Yu, H.B.⁴ Elstner, M.⁵ Frauenheim, T.⁶ Cui, Q.⁷

14
- 11644271492
- U. W. Schmitt, G. A. Voth, J. Phys. Chem. B 1998, 102, 5547-5551.
- (1998) J. Phys. Chem. B , vol.102 , pp. 5547-5551
- Schmitt, U.W.¹ Voth, G.A.²

15
- 0347924514
- R. Vuilleumier, D. Borgis, J. Chem. Phys. 1999, 111, 4251-4266.
- (1999) J. Chem. Phys , vol.111 , pp. 4251-4266
- Vuilleumier, R.¹ Borgis, D.²

16
- 7644225147
- R. Vuilleumier, D. Borgis, J. of Mol. Struct. 1997, 437, 555-565.
- (1997) J. of Mol. Struct , vol.437 , pp. 555-565
- Vuilleumier, R.¹ Borgis, D.²

17
- 0347356002
- R. Vuilleumier, D. Borgis, J. Phys. Chem. B 1998, 102, 4261-4264.
- (1998) J. Phys. Chem. B , vol.102 , pp. 4261-4264
- Vuilleumier, R.¹ Borgis, D.²

18
- 0001213767
- U. W. Schmitt, G. A. Voth, J. Chem. Phys. 1999, 111, 9361-9381.
- (1999) J. Chem. Phys , vol.111 , pp. 9361-9381
- Schmitt, U.W.¹ Voth, G.A.²

19
- 0034614072
- T. J. F. Day, U. W. Schmitt, G. A. Voth, J. Am. Chem. Soc. 2000, 122, 12 027-12 028.
- (2000) J. Am. Chem. Soc , vol.122
- Day, T.J.F.¹ Schmitt, U.W.² Voth, G.A.³

20
- 5944238344
- J. Lobaugh, G. A. Voth, J. Chem. Phys. 1996, 104, 2056-2069.
- (1996) J. Chem. Phys , vol.104 , pp. 2056-2069
- Lobaugh, J.¹ Voth, G.A.²

21
- 4243810035
- J. Aqvist, A. Warshel, Chem. Rev. 1993, 93, 2523-2544.
- (1993) Chem. Rev , vol.93 , pp. 2523-2544
- Aqvist, J.¹ Warshel, A.²

22
- 0346725553
- D. Borgis, J. T. Hynes, Chem. Phys. 1993, 170, 315-346.
- (1993) Chem. Phys , vol.170 , pp. 315-346
- Borgis, D.¹ Hynes, J.T.²

23
- 33751123245
- D. Borgis, J. T. Hynes, J. Phys. Chem. 1996, 100, 1118-1128.
- (1996) J. Phys. Chem , vol.100 , pp. 1118-1128
- Borgis, D.¹ Hynes, J.T.²

24
- 27844452636
- A. Staib, D. Borgis, J. T. Hynes, J. Chem. Phys. 1995, 102, 2487-2505.
- (1995) J. Chem. Phys , vol.102 , pp. 2487-2505
- Staib, A.¹ Borgis, D.² Hynes, J.T.³

25
- 0001256220
- D. Marx, M. Parrinello, J. Chem. Phys. 1996, 104, 4077-4082.
- (1996) J. Chem. Phys , vol.104 , pp. 4077-4082
- Marx, D.¹ Parrinello, M.²

26
- 0000671855
- M. E. Tuckerman, D. Marx, M. L. Klein, M. Parrinello, J. Chem. Phys. 1996, 104, 5579-5588.
- (1996) J. Chem. Phys , vol.104 , pp. 5579-5588
- Tuckerman, M.E.¹ Marx, D.² Klein, M.L.³ Parrinello, M.⁴

27
- 33748355386
- J. M. Park, A. Laio, M. Iannuzzi, M. Parrinello, J. Am. Chem. Soc. 2006, 128, 11 318-11 319.
- (2006) J. Am. Chem. Soc , vol.128
- Park, J.M.¹ Laio, A.² Iannuzzi, M.³ Parrinello, M.⁴

28
- 0037073166
- I. Ivanov, M. L. Klein, J. Am. Chem. Soc. 2002, 124, 13 380-13 381.
- (2002) J. Am. Chem. Soc , vol.124
- Ivanov, I.¹ Klein, M.L.²

29
- 33645820863
- I. Ivanov, B. Chen, S. Raugei, M. L. Klein, J. Phys. Chem. B 2006, 110, 6365-6371.
- (2006) J. Phys. Chem. B , vol.110 , pp. 6365-6371
- Ivanov, I.¹ Chen, B.² Raugei, S.³ Klein, M.L.⁴

30
- 31544469221
- C. M. Maupin, K. F. Wong, A. V. Soudackov, S. Kim, G. A. Voth, J Phys. Chem. A 2006, 110, 631-639.
- (2006) J Phys. Chem. A , vol.110 , pp. 631-639
- Maupin, C.M.¹ Wong, K.F.² Soudackov, A.V.³ Kim, S.⁴ Voth, G.A.⁵

31
- 36749108636
- C. Pangali, M. Rao, B. J. Berne, J. Chem. Phys. 1979, 71, 2975-2981.
- (1979) J. Chem. Phys , vol.71 , pp. 2975-2981
- Pangali, C.¹ Rao, M.² Berne, B.J.³

32
- 0001060458
- G. N. Patey, J. P. Valleau, J. Chem. Phys. 1975, 63, 2334-2339.
- (1975) J. Chem. Phys , vol.63 , pp. 2334-2339
- Patey, G.N.¹ Valleau, J.P.²

33
- 33646170424
- H. Chen, Y. Wu, G. A. Voth, Biophys. J. 2006, 90, L73-75.
- (2006) Biophys. J , vol.90
- Chen, H.¹ Wu, Y.² Voth, G.A.³

34
- 3142613053
- A. N. Bondar, M. Elstner, S. Suhai, J. C. Smith, S. Fischer, Structure 2004, 12, 1281-1288.
- (2004) Structure , vol.12 , pp. 1281-1288
- Bondar, A.N.¹ Elstner, M.² Suhai, S.³ Smith, J.C.⁴ Fischer, S.⁵

35
- 34249857084
- G. Mathias, D. Marx, Proc. Natl. Acad. Sci. U. S. A. 2007, 104, 6980-6985.
- (2007) Proc. Natl. Acad. Sci. U. S. A , vol.104 , pp. 6980-6985
- Mathias, G.¹ Marx, D.²

36
- 0035504965
- M. A. Lill, V. Helms, J. Chem. Phys. 2001, 115, 7985-7992.
- (2001) J. Chem. Phys , vol.115 , pp. 7985-7992
- Lill, M.A.¹ Helms, V.²

37
- 0035504327
- M. A. Lill, V. Helms, J. Chem. Phys. 2001, 115, 7993-8005.
- (2001) J. Chem. Phys , vol.115 , pp. 7993-8005
- Lill, M.A.¹ Helms, V.²

38
- 0035124287
- M. A. Lill, V. Helms, J. Chem. Phys. 2001, 114, 1125-1132.
- (2001) J. Chem. Phys , vol.114 , pp. 1125-1132
- Lill, M.A.¹ Helms, V.²

39
- 0034274389
- M. A. Lill, M. C. Hutter, V. Helms, J. Phys. Chem. A 2000, 104, 8283-8289.
- (2000) J. Phys. Chem. A , vol.104 , pp. 8283-8289
- Lill, M.A.¹ Hutter, M.C.² Helms, V.³

40
- 0037022637
- M. A. Lill, V. Helms, Proc. Natl. Acad. Sci. U. S. A. 2002, 99, 2778-2781.
- (2002) Proc. Natl. Acad. Sci. U. S. A , vol.99 , pp. 2778-2781
- Lill, M.A.¹ Helms, V.²

41
- 0141534474
- B. L. de Groot, T. Frigato, V. Helms, H. Grubmuller, J. Mol. Biol. 2003, 333, 279-293.
- (2003) J. Mol. Biol , vol.333 , pp. 279-293
- de Groot, B.L.¹ Frigato, T.² Helms, V.³ Grubmuller, H.⁴

42
- 36849045884
- W. Gu, T. Frigato, T. P. Straatsma, V. Helms, Angew. Chem. 2007, 119, 2997-3001;
- (2007) Angew. Chem , vol.119 , pp. 2997-3001
- Gu, W.¹ Frigato, T.² Straatsma, T.P.³ Helms, V.⁴

43
- 34250880733
- Angew. Chem. Int. Ed. 2007, 46, 2939-2943.
- (2007) Chem. Int. Ed , vol.46 , pp. 2939-2943
- Angew¹

44
- 0025601409
- F. Jiang, J. McCracken, J. Peisach, J. Am. Chem. Soc. 1990, 112, 9035-9044.
- (1990) J. Am. Chem. Soc , vol.112 , pp. 9035-9044
- Jiang, F.¹ McCracken, J.² Peisach, J.³

45
- 0347193736
- P. Hänggi, P. Talkner, M. Borkovec, Rev. Mod. Phys. 1990, 62, 251-342.
- (1990) Rev. Mod. Phys , vol.62 , pp. 251-342
- Hänggi, P.¹ Talkner, P.² Borkovec, M.³

46
- 33748558764
- E. Herzog, T. Frigato, V. Helms, C. R. D. Lancaster, J. Comput. Chem. 2006, 27, 1534-1547.
- (2006) J. Comput. Chem , vol.27 , pp. 1534-1547
- Herzog, E.¹ Frigato, T.² Helms, V.³ Lancaster, C.R.D.⁴

47
- 1242346370
- H. J. C. Berendsen, J. R. Grigera, T. P. Straatsma, J. Phys. Chem. 1987, 91, 6269-6271.
- (1987) J. Phys. Chem , vol.91 , pp. 6269-6271
- Berendsen, H.J.C.¹ Grigera, J.R.² Straatsma, T.P.³

48
- 0001216964
- W. D. Cornell, P. Cieplak, C. I. Bayly, I. R. Gould, K. M. Merz, D. M. Ferguson, D. C. Spellmeyer, T. Fox, J. W. Caldwell, P. A. Kollman, J. Am. Chem. Soc. 1996, 118, 2309-2309.
- (1996) J. Am. Chem. Soc , vol.118 , pp. 2309-2309
- 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

49
- 33645961739
- U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee, L. G. Pedersen, J. Chem. Phys. 1995, 103, 8577-8593.
- (1995) J. Chem. Phys , vol.103 , pp. 8577-8593
- Essmann, U.¹ Perera, L.² Berkowitz, M.L.³ Darden, T.⁴ Lee, H.⁵ Pedersen, L.G.⁶

50
- 33750587438
- H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, J. R. Haak, J. Chem. Phys. 1984, 81, 3684-3690.
- (1984) J. Chem. Phys , vol.81 , pp. 3684-3690
- Berendsen, H.J.C.¹ Postma, J.P.M.² van Gunsteren, W.F.³ DiNola, A.⁴ Haak, J.R.⁵

51
- 33646940952
- J. P. Ryckaert, G. Ciccotti, H. J. C. Berendsen, J. Comput. Phys. 1977, 23, 327-341.
- (1977) J. Comput. Phys , vol.23 , pp. 327-341
- Ryckaert, J.P.¹ Ciccotti, G.² Berendsen, H.J.C.³

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