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European Physical Journal: Special Topics

Volumn 200, Issue 1, 2011, Pages 91-105

Constraint methods for determining pathways and free energy of activated processes

(1) Schlitter, J a

a RUHR UNIVERSITY BOCHUM (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 83355170479 PISSN: 19516355 EISSN: 19516401 Source Type: Journal
DOI: 10.1140/epjst/e2011-01520-2 Document Type: Review

Times cited : (14)

References (64)

1
- 33846406882
- D. Trzesniak, A. P. E. Kunz, W. F. van Gunsteren, Chem. Phys. Chem. 8, 162 (2007).
- (2007) Chem. Phys. Chem. , vol.8 , pp. 162
- Trzesniak, D.¹ Kunz, A.P.E.² van Gunsteren, W.F.³

2
- 33846426580
- J. M. Depaepe, J. P. Ryckaert, E. Paci, G. Ciccotti, Mol. Phys. 79, 515 (1993).
- (1993) Mol. Phys. , vol.79 , pp. 515
- Depaepe, J.M.¹ Ryckaert, J.P.² Paci, E.³ Ciccotti, G.⁴

3
- 0032555216
- J. P. Ma M. Karplus, Proc. Natl. Acad. Sci. USA 95, 8502 (1998).
- (1998) Proc. Natl. Acad. Sci. USA , vol.95 , pp. 8502
- Ma, J.P.¹ Karplus, M.²

4
- 4244067659
- J. Ma, M. Karplus, Biophys. J. 76, A118 (1999).
- (1999) Biophys. J. , vol.76
- Ma, J.¹ Karplus, M.²

5
- 0036073866
- J. P. Ma, T. C. Flynn, Q. Cui, A. G. W. Leslie, J. E. Walker, M. Karplus, Structure 10, 921 (2002).
- (2002) Structure , vol.10 , pp. 921
- Ma, J.P.¹ Flynn, T.C.² Cui, Q.³ Leslie, A.G.W.⁴ Walker, J.E.⁵ Karplus, M.⁶

6
- 83355162328
- T. C. Flynn, J. P. Ma, Q. Cui, A. G. W. Leslie, J. E. Walker, M. Karplus, Biophys. J. 84, 497A (2003).
- (2003) Biophys. J. , vol.84
- Flynn, T.C.¹ Ma, J.P.² Cui, Q.³ Leslie, A.G.W.⁴ Walker, J.E.⁵ Karplus, M.⁶

7
- 38749144728
- C. Burisch, P. R. L. Markwick, N. L. Doltsinis, J. Schlitter, J. Chem. Theo. Comp. 4, 164 (2008).
- (2008) J. Chem. Theo. Comp. , vol.4 , pp. 164
- Burisch, C.¹ Markwick, P.R.L.² Doltsinis, N.L.³ Schlitter, J.⁴

8
- 34447511112
- E. Di Pietro, G. Cardini, V. Schettino, Phys. Chem. Chem. Phys. 9, 3857 (2007).
- (2007) Phys. Chem. Chem. Phys. , vol.9 , pp. 3857
- Di Pietro, E.¹ Cardini, G.² Schettino, V.³

9
- 83355165806
- N. L. Doltsinis, D. Marx, Phys. Rev. Lett. 88, (2002).
- (2002) Phys. Rev. Lett. , vol.88
- Doltsinis, N.L.¹ Marx, D.²

10
- 0037804173
- N. L. Doltsinis, M. Sprik, Phys. Chem. Chem. Phys. 5, 2612 (2003).
- (2003) Phys. Chem. Chem. Phys. , vol.5 , pp. 2612
- Doltsinis, N.L.¹ Sprik, M.²

11
- 83355166216
- P. Fleurat-Lessard, T. Ziegler, J. Chem. Phys. 123 (2005).
- (2005) J. Chem. Phys. , vol.123
- Fleurat-Lessard, P.¹ Ziegler, T.²

12
- 3442898468
- E. Fois, A. Gamba, E. Spano, J. Phys. Chem. B 108, 9557 (2004).
- (2004) J. Phys. Chem. B , vol.108 , pp. 9557
- Fois, E.¹ Gamba, A.² Spano, E.³

13
- 0011812868
- E. Fois, A. Gamba, G. Tabacchi, Chem. Phys. Lett. 329, 1 (2000).
- (2000) Chem. Phys. Lett. , vol.329 , pp. 1
- Fois, E.¹ Gamba, A.² Tabacchi, G.³

14
- 64749089401
- E. Fois, A. Gamba, F. Trudu, G. Tabacchi, Nuovo Cimento B 123, 1567 (2008).
- (2008) Nuovo Cimento B , vol.123 , pp. 1567
- Fois, E.¹ Gamba, A.² Trudu, F.³ Tabacchi, G.⁴

15
- 24344466406
- C. Ghio, G. Alagona, S. Campanile, D. Molin, Theochem. 729, 131 (2005).
- (2005) Theochem. , vol.729 , pp. 131
- Ghio, C.¹ Alagona, G.² Campanile, S.³ Molin, D.⁴

16
- 22944478999
- P. R. L. Markwick, N. L. Doltsinis, D. Marx, J. Chem. Phys. 122, (2005).
- (2005) J. Chem. Phys. , vol.122
- Markwick, P.R.L.¹ Doltsinis, N.L.² Marx, D.³

17
- 0141561869
- M. Semialjac, D. Schroder, H. Schwarz, Chem. Eur. J. 9, 4396 (2003).
- (2003) Chem. Eur. J. , vol.9 , pp. 4396
- Semialjac, M.¹ Schroder, D.² Schwarz, H.³

18
- 8344275794
- S. Y. Yang, P. Fleurat-Lessard, I. Hristov, T. Ziegler, J. Phys. Chem. A 108, 9461 (2004).
- (2004) J. Phys. Chem. A , vol.108 , pp. 9461
- Yang, S.Y.¹ Fleurat-Lessard, P.² Hristov, I.³ Ziegler, T.⁴

19
- 12344336589
- S. Y. Yang, I. Hristov, P. Fleurat-Lessard, T. Ziegler, J. Phys. Chem. A 109, 197 (2005).
- (2005) J. Phys. Chem. A , vol.109 , pp. 197
- Yang, S.Y.¹ Hristov, I.² Fleurat-Lessard, P.³ Ziegler, T.⁴

20
- 33847727474
- P. R. L. Markwick, N. L. Doltsinis, J. Schlitter, J. Chem. Phys. 126, 045104 (2007).
- (2007) J. Chem. Phys. , vol.126 , pp. 045104
- Markwick, P.R.L.¹ Doltsinis, N.L.² Schlitter, J.³

21
- 0035111171
- S. R. Billeter, C. F. W. Hanser, T. Z. Mordasini, M. Scholten, W. Thiel, W. F. van Gunsteren, Phys. Chem. Chem. Phys. 3, 688 (2001).
- (2001) Phys. Chem. Chem. Phys. , vol.3 , pp. 688
- Billeter, S.R.¹ Hanser, C.F.W.² Mordasini, T.Z.³ Scholten, M.⁴ Thiel, W.⁵ van Gunsteren, W.F.⁶

22
- 35648931010
- D. P. Geerke, S. Thiel, W. Thiel, W. F. van Gunsteren, J. Chem. Theo. Comp. 3, 1499 (2007).
- (2007) J. Chem. Theo. Comp. , vol.3 , pp. 1499
- Geerke, D.P.¹ Thiel, S.² Thiel, W.³ van Gunsteren, W.F.⁴

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

24
- 0003451443
- (Oxford University Press, Oxford)
- M. P. Allen, D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 1987).
- (1987) Computer Simulation of Liquids
- Allen, M.P.¹ Tildesley, D.J.²

25
- 83355165804
- J. Kästner, WIREs Comp. Mol. Sc. (2011).
- (2011) WIREs Comp. Mol. Sc.
- Kästner, J.¹

26
- 83355162326
- J. Kästner W. Thiel, J. Chem. Phys. 123 (2005).
- (2005) J. Chem. Phys. , vol.123
- Kästner, J.¹ Thiel, W.²

27
- 83355165803
- J. Kästner W. Thiel, J. Chem. Phys. 124 (2006).
- (2006) J. Chem. Phys. , vol.124
- Kästner, J.¹ Thiel, W.²

28
- 4243661501
- E. A. Carter, G. Ciccotti, J. T. Hynes, R. Kapral, Chem. Phys. Lett. 156, 472 (1989).
- (1989) Chem. Phys. Lett. , vol.156 , pp. 472
- Carter, E.A.¹ Ciccotti, G.² Hynes, J.T.³ Kapral, R.⁴

29
- 83355166212
- edited by W. F. van Gunsteren, P. K. Weiner (ESCOM, Leiden)
- Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications, Vol. 2, edited by W. F. van Gunsteren, P. K. Weiner (ESCOM, Leiden, 1993).
- (1993) Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications , vol.2

30
- 0001492503
- edited by W. F. van Gunsteren, P. K. Weiner, A. J. Wilkinson (ESCOM, Leiden)
- W. F. van Gunsteren, T. C. Beutler, F. Fraternall, P. M. King, A. E. Mark, P. E. Smith, in Computer Simulation of Biomolecular Systems, Theoretical and Experimental Applications, Vol. 2, edited by W. F. van Gunsteren, P. K. Weiner, A. J. Wilkinson (ESCOM, Leiden, 1993), p. 315.
- (1993) In Computer Simulation of Biomolecular Systems, Theoretical and Experimental Applications , vol.2 , pp. 315
- van Gunsteren, W.F.¹ Beutler, T.C.² Fraternall, F.³ King, P.M.⁴ Mark, A.E.⁵ Smith, P.E.⁶

31
- 0000606387
- T. Mulders, P. Kruger, W. Swegat, J. Schlitter, J. Chem. Phys. 104, 4869 (1996).
- (1996) J. Chem. Phys. , vol.104 , pp. 4869
- Mulders, T.¹ Kruger, P.² Swegat, W.³ Schlitter, J.⁴

32
- 0032529893
- W. K. Den, Otter W. J. Briels, J. Chem. Phys. 109, 4139 (1998).
- (1998) J. Chem. Phys. , vol.109 , pp. 4139
- Den, W.K.¹ Briels Otter, W.J.²

33
- 0001702831
- M. Sprik, G. Ciccotti, J. Chem. Phys. 109, 7737 (1998).
- (1998) J. Chem. Phys. , vol.109 , pp. 7737
- Sprik, M.¹ Ciccotti, G.²

34
- 0035935802
- E. Darve, A. Pohorille, J. Chem. Phys. 115, 9169 (2001).
- (2001) J. Chem. Phys. , vol.115 , pp. 9169
- Darve, E.¹ Pohorille, A.²

35
- 0034691223
- W. K. Den, Otter W. J. Briels, Mol. Phys. 98, 773 (2000).
- (2000) Mol. Phys. , vol.98 , pp. 773
- Den, W.K.¹ Briels Otter, W.J.²

36
- 0037329606
- J. Schlitter, M. Klähn, J. Chem. Phys. 118, 2057 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 2057
- Schlitter, J.¹ Klähn, M.²

37
- 1542273529
- J. Schlitter, M. Klähn, Mol. Phys. 101, 3439 (2003).
- (2003) Mol. Phys. , vol.101 , pp. 3439
- Schlitter, J.¹ Klähn, M.²

38
- 34548680131
- edited by C. Chipot, A. Pohorille (Springer, Berlin)
- Free Energy Calculations, edited by C. Chipot, A. Pohorille (Springer, Berlin, 2007).
- (2007) Free Energy Calculations

39
- 0000603016
- R. Elber, M. Karplus, Chem. Phys. Letters 139, 375 (1987).
- (1987) Chem. Phys. Letters , vol.139 , pp. 375
- Elber, R.¹ Karplus, M.²

40
- 0000231955
- S. Fischer, M. Karplus, Chem. Phys. Lett. 194, 252 (1992).
- (1992) Chem. Phys. Lett. , vol.194 , pp. 252
- Fischer, S.¹ Karplus, M.²

41
- 0000729781
- C. Dellago, P. G. Bolhuis, F. S. Csajka, D. Chandler, J. Chem. Phys. 108, 1964 (1998).
- (1998) J. Chem. Phys. , vol.108 , pp. 1964
- Dellago, C.¹ Bolhuis, P.G.² Csajka, F.S.³ Chandler, D.⁴

42
- 34548680131
- edited by C. Chipot, A. Pohorille (Springer, Berlin)
- C. Dellago, in Free Energy Calculations, edited by C. Chipot, A. Pohorille (Springer, Berlin, 2007).
- (2007) In Free Energy Calculations
- Dellago, C.¹

43
- 0026320866
- H. Frauenfelder, S. G. Sligar, P. G. Wolynes, Science 254, 1598 (1991).
- (1991) Science , vol.254 , pp. 1598
- Frauenfelder, H.¹ Sligar, S.G.² Wolynes, P.G.³

44
- 65249122552
- H. Frauenfelder, G. Chen, J. Berendzen, P. W. Fenimore, H. Jansson, B. H. McMahon, I. R. Stroe, J. Swenson, R. D. Young, Proc. Natl. Acad. Sci. USA 106, 5129 (2009).
- (2009) Proc. Natl. Acad. Sci. USA , vol.106 , pp. 5129
- Frauenfelder, H.¹ Chen, G.² Berendzen, J.³ Fenimore, P.W.⁴ Jansson, H.⁵ McMahon, B.H.⁶ Stroe, I.R.⁷ Swenson, J.⁸ Young, R.D.⁹

45
- 0023140044
- R. Elber, M. Karplus, Science 235, 318 (1987).
- (1987) Science , vol.235 , pp. 318
- Elber, R.¹ Karplus, M.²

46
- 0344407048
- A. E. Cardenas, R. Elber, Proteins: Struc. Func. Gen. 51, 245 (2003).
- (2003) Proteins: Struc. Func.Gen. , vol.51 , pp. 245
- Cardenas, A.E.¹ Elber, R.²

47
- 0027794972
- J. Schlitter, M. Engels, P. Kruger, E. Jacoby, A. Wollmer, Mol. Sim. 10, 291 (1993).
- (1993) Mol. Sim. , vol.10 , pp. 291
- Schlitter, J.¹ Engels, M.² Kruger, P.³ Jacoby, E.⁴ Wollmer, A.⁵

48
- 0034665864
- J. P. Ma, P. B. Sigler, Z. H. Xu, M. Karplus, J. Mol. Biol. 302, 303 (2000).
- (2000) J. Mol. Biol. , vol.302 , pp. 303
- Ma, J.P.¹ Sigler, P.B.² Xu, Z.H.³ Karplus, M.⁴

49
- 0001744683
- P. Ferrara, J. Apostolakis, A. Caflisch, J. Phys. Chem. B 104, 4511 (2000).
- (2000) J. Phys. Chem. B , vol.104 , pp. 4511
- Ferrara, P.¹ Apostolakis, J.² Caflisch, A.³

50
- 0347929642
- G. Ciccotti, M. Ferrario, J. T. Hynes, R. Kapral, Chem. Phys. 129, 241 (1989).
- (1989) Chem. Phys. , vol.129 , pp. 241
- Ciccotti, G.¹ Ferrario, M.² Hynes, J.T.³ Kapral, R.⁴

51
- 0037041734
- A. Sergi, G. Ciccotti, M. Falconi, A. Desideri, M. Ferrario, J. Chem. Phys. 116, 6329 (2002).
- (2002) J. Chem. Phys. , vol.116 , pp. 6329
- Sergi, A.¹ Ciccotti, G.² Falconi, M.³ Desideri, A.⁴ Ferrario, M.⁵

52
- 33845198350
- M. Klaehn, E. Rosta, A. Warshel, J. Am. Chem. Soc. 128, 15310 (2006).
- (2006) J. Am. Chem. Soc. , vol.128 , pp. 15310
- Klaehn, M.¹ Rosta, E.² Warshel, A.³

53
- 0035789477
- J. Schlitter, W. Swegat, T. Mulders, J. Mol. Mod. 7, 171 (2001).
- (2001) J. Mol. Mod. , vol.7 , pp. 171
- Schlitter, J.¹ Swegat, W.² Mulders, T.³

54
- 0030059225
- H. Grubmuller, B. Heymann, P. Tavan, Science 271, 997 (1996).
- (1996) Science , vol.271 , pp. 997
- Grubmuller, H.¹ Heymann, B.² Tavan, P.³

55
- 0001068789
- S. Stepaniants, S. Izrailev, K. Schulten, J. Mol. Mod. 3, 473 (1997).
- (1997) J. Mol. Mod. , vol.3 , pp. 473
- Stepaniants, S.¹ Izrailev, S.² Schulten, K.³

56
- 0016273821
- M. Fixman, Proc. Natl. Acad. Sci. USA 71, 3050 (1974).
- (1974) Proc. Natl. Acad. Sci. USA , vol.71 , pp. 3050
- Fixman, M.¹

57
- 0037340909
- W. Swegat, J. Schlitter, P. Kruger, A. Wollmer, Biophys. J. 84, 1493 (2003).
- (2003) Biophys. J. , vol.84 , pp. 1493
- Swegat, W.¹ Schlitter, J.² Kruger, P.³ Wollmer, A.⁴

58
- 0029156702
- J. F. Diaz, B. Wroblowski, Y. Engelborghs, Biochemistry 34, 12038 (1995).
- (1995) Biochemistry , vol.34 , pp. 12038
- Diaz, J.F.¹ Wroblowski, B.² Engelborghs, Y.³

59
- 0242618314
- J. F. Diaz, B. Wroblowski, J. Schlitter, Y. Engelborghs, Proteins: Struc. Func. Gen. 28, 434 (1997).
- (1997) Proteins: Struc. Func.Gen. , vol.28 , pp. 434
- Diaz, J.F.¹ Wroblowski, B.² Schlitter, J.³ Engelborghs, Y.⁴

60
- 0034464230
- F. Molnar, L. S. Norris, K. Schulten, Progr. React. Kin. 25, 263 (2000).
- (2000) Progr. React. Kin. , vol.25 , pp. 263
- Molnar, F.¹ Norris, L.S.² Schulten, K.³

61
- 0035085863
- P. Kruger, S. Verheyden, P. J. Declerck, Y. Engelborghs, Prot. Sci. 10, 798 (2001).
- (2001) Prot. Sci. , vol.10 , pp. 798
- Kruger, P.¹ Verheyden, S.² Declerck, P.J.³ Engelborghs, Y.⁴

62
- 33749514776
- M. A. Kastenholz, T. U. Schwartz, P. H. Hunenberger, Biophys. J. 91, 2976 (2006).
- (2006) Biophys. J. , vol.91 , pp. 2976
- Kastenholz, M.A.¹ Schwartz, T.U.² Hunenberger, P.H.³

63
- 0034657550
- P. Ferrara, J. Apostolakis, A. Caflisch, Proteins: Struc. Func. Gen. Genetics 39, 252 (2000).
- (2000) Proteins: Struc. Func. Gen. Genetics , vol.39 , pp. 252
- Ferrara, P.¹ Apostolakis, J.² Caflisch, A.³

64
- 0008025298
- A. E. Mark, S. P. Vanhelden, P. E. Smith, L. H. M. Janssen, W. F. van Gunsteren, J. Am. Chem. Soc. 116, 6293 (1994).
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 6293
- Mark, A.E.¹ Vanhelden, S.P.² Smith, P.E.³ Janssen, L.H.M.⁴ van Gunsteren, W.F.⁵

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