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Journal of Physical Chemistry B

Volumn 112, Issue 38, 2008, Pages 12038-12049

Temperature and pressure dependence of alanine dipeptide studied by multibaric-multithermal molecular dynamics simulations

(2) Okumura, Hisashi a Okamoto, Yuko a

a NAGOYA UNIVERSITY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; MOLECULAR DYNAMICS; PLUTONIUM; QUANTUM CHEMISTRY;

ALANINE DIPEPTIDE; CONFORMATIONAL SPACES; EXPLICIT WATER; MD SIMULATIONS; MOLECULAR DYNAMICS SIMULATIONS; PRESSURE DEPENDENCE;

DYNAMICS;

EID: 52949090903 PISSN: 15206106 EISSN: None Source Type: Journal
DOI: 10.1021/jp712109q Document Type: Article

Times cited : (54)

References (55)

1
- 84943502952
- Nosé S. Mol. Phys. 1984, 52, 255.
- (1984) Mol. Phys , vol.52 , pp. 255
- Nosé, S.¹

2
- 34547809547
- Nosé, S. J. Chem. Phys. 1984, 81, 511.
- (1984) J. Chem. Phys , vol.81 , pp. 511
- Nosé, S.¹

3
- 0001538909
- Hoover, W. G. Phys. Rev. A 1985, 31, 1695.
- (1985) Phys. Rev. A , vol.31 , pp. 1695
- Hoover, W.G.¹

4
- 5744249209
- Metropolis, N.; Rosenbluth, A. W.; Rosenbluth, M. N.; Teller, A. H.; Teller, E. J. Chem. Phys. 1953, 21, 1087.
- (1953) J. Chem. Phys , vol.21 , pp. 1087
- Metropolis, N.¹ Rosenbluth, A.W.² Rosenbluth, M.N.³ Teller, A.H.⁴ Teller, E.⁵

5
- 36749107785
- Andersen, H. C. J. Chem. Phys. 1980, 72, 2384.
- (1980) J. Chem. Phys , vol.72 , pp. 2384
- Andersen, H.C.¹

6
- 0002674261
- McDonald, I. R. Mol. Phys. 1972, 23, 41.
- (1972) Mol. Phys , vol.23 , pp. 41
- McDonald, I.R.¹

7
- 0000619629
- Stauffer, D, Ed, World Scientific: Singapore
- Hansmann, U. H. E.; Okamoto, Y. In Annual Review of Computational Physics VI; Stauffer, D., Ed.; World Scientific: Singapore, 1999; p 129.
- (1999) Annual Review of Computational Physics , vol.6 , pp. 129
- Hansmann, U.H.E.¹ Okamoto, Y.²

8
- 0034864528
- Mitsutake, A.; Sugita, Y.; Okamoto, Y. Biopolymers (Pept. Sci.) 2001, 60, 96.
- (2001) Biopolymers (Pept. Sci.) , vol.60 , pp. 96
- Mitsutake, A.¹ Sugita, Y.² Okamoto, Y.³

9
- 0036681916
- Berg, B. A. Comput. Phys. Commun. 2002, 147, 52.
- (2002) Comput. Phys. Commun , vol.147 , pp. 52
- Berg, B.A.¹

10
- 0000106469
- Berg, B. A.; Neuhaus, T. Phys. Lett. B 1991, 267, 249.
- (1991) Phys. Lett. B , vol.267 , pp. 249
- Berg, B.A.¹ Neuhaus, T.²

11
- 4243613377
- Berg, B. A.; Neuhaus, T. Phys. Rev. Lett. 1992, 68, 9.
- (1992) Phys. Rev. Lett , vol.68 , pp. 9
- Berg, B.A.¹ Neuhaus, T.²

12
- 0030572603
- Hansmann, U. H. E.; Okamoto, Y.; Eisenmenger, F. Chem. Phys. Lett. 1996, 259, 321.
- (1996) Chem. Phys. Lett , vol.259 , pp. 321
- Hansmann, U.H.E.¹ Okamoto, Y.² Eisenmenger, F.³

13
- 0030819348
- Nakajima, N.; Nakamura, H.; Kidera, A. J. Phys. Chem. B 1997, 101, 817.
- (1997) J. Phys. Chem. B , vol.101 , pp. 817
- Nakajima, N.¹ Nakamura, H.² Kidera, A.³

14
- 4243819810
- Ferrenberg, A. M.; Swendsen, R. H. Phys. Rev. Lett. 1988, 67, 2635;
- (1988) Phys. Rev. Lett , vol.67 , pp. 2635
- Ferrenberg, A.M.¹ Swendsen, R.H.²

15
- 84906364197
- 1989, 1658E
- 1989, 63, 1658(E).
- , vol.63

16
- 1642534558
- Okumura, H.; Okamoto, Y. Chem. Phys. Lett. 2004, 383, 391.
- (2004) Chem. Phys. Lett , vol.383 , pp. 391
- Okumura, H.¹ Okamoto, Y.²

17
- 42749101256
- Okumura, H.; Okamoto, Y. Phys. Rev. E 2004, 70, 026702.
- (2004) Phys. Rev. E , vol.70 , pp. 026702
- Okumura, H.¹ Okamoto, Y.²

18
- 20444459163
- Okumura, H.; Okamoto, Y. J. Phys. Soc. Jpn. 2004, 73, 3304.
- (2004) J. Phys. Soc. Jpn , vol.73 , pp. 3304
- Okumura, H.¹ Okamoto, Y.²

19
- 2942550984
- Okumura, H.; Okamoto, Y. Chem. Phys. Lett. 2004, 391, 248.
- (2004) Chem. Phys. Lett , vol.391 , pp. 248
- Okumura, H.¹ Okamoto, Y.²

20
- 32444434410
- Okumura, H.; Okamoto, Y. J. Comput. Chem. 2006, 27, 379.
- (2006) J. Comput. Chem , vol.27 , pp. 379
- Okumura, H.¹ Okamoto, Y.²

21
- 52949096608
- Okumura, H.; Okamoto, Y. Bull. Chem. Soc. Jpn. 2007, 80, 1114.
- (2007) Bull. Chem. Soc. Jpn , vol.80 , pp. 1114
- Okumura, H.¹ Okamoto, Y.²

22
- 0030516672
- Hukushima, K.; Nemoto, K. J. Phys. Soc. Jpn. 1996, 65, 1604.
- (1996) J. Phys. Soc. Jpn , vol.65 , pp. 1604
- Hukushima, K.¹ Nemoto, K.²

23
- 0001616080
- Sugita, Y.; Okamoto, Y. Chem. Phys. Lett. 1999, 374, 141.
- (1999) Chem. Phys. Lett , vol.374 , pp. 141
- Sugita, Y.¹ Okamoto, Y.²

24
- 0034354036
- Nishikawa, T.; Ohtsuka, H.; Sugita, Y.; Mikami, M.; Okamoto, Y. Prog. Theor. Phys. Suppl. 2000, 138, 270.
- (2000) Prog. Theor. Phys. Suppl , vol.138 , pp. 270
- Nishikawa, T.¹ Ohtsuka, H.² Sugita, Y.³ Mikami, M.⁴ Okamoto, Y.⁵

25
- 0000551750
- Okabe, T.; Kawata, M.; Okamoto, Y.; Mikami, M. Chem. Phys. Lett. 2001, 335, 435.
- (2001) Chem. Phys. Lett , vol.335 , pp. 435
- Okabe, T.¹ Kawata, M.² Okamoto, Y.³ Mikami, M.⁴

26
- 84906378502
- Sugita, Y.; Okamoto, Y. In Lecture Notes in Computational Science and Engineering; Schlick, T., Gan, H. H., Eds.; Springer-Verlag: Berlin, 2002; pp 303-331; also see e-print: cond-mat/0102296.
- Sugita, Y.; Okamoto, Y. In Lecture Notes in Computational Science and Engineering; Schlick, T., Gan, H. H., Eds.; Springer-Verlag: Berlin, 2002; pp 303-331; also see e-print: cond-mat/0102296.

27
- 37649031797
- Paschek, D.; Garcia, A. E. Phys. Rev. Lett. 2004, 93, 238105.
- (2004) Phys. Rev. Lett , vol.93 , pp. 238105
- Paschek, D.¹ Garcia, A.E.²

28
- 18744415073
- Paschek, D.; Gnanakaran, S.; Garcia, A. E. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 6765.
- (2005) Proc. Natl. Acad. Sci. U.S.A , vol.102 , pp. 6765
- Paschek, D.¹ Gnanakaran, S.² Garcia, A.E.³

29
- 0037961506
- Mitsutake, A.; Sugita, Y.; Okamoto, Y. J. Chem. Phys. 2003, 118, 6676.
- (2003) J. Chem. Phys , vol.118 , pp. 6676
- Mitsutake, A.¹ Sugita, Y.² Okamoto, Y.³

30
- 0002098417
- Wilkinson, A, Weiner, P, van Gunsteren, W. F, Eds, Elsevier: Dordrecht
- Kollman, P. A.; Dixon, R.; Cornell, W.; Fox, T.; Chipot, C.; Pohorille, A. In Computer Simulation of Biomolecular Systems 3; Wilkinson, A., Weiner, P., van Gunsteren, W. F., Eds.; Elsevier: Dordrecht, 1997; p 83.
- (1997) Computer Simulation of Biomolecular Systems 3 , pp. 83
- Kollman, P.A.¹ Dixon, R.² Cornell, W.³ Fox, T.⁴ Chipot, C.⁵ Pohorille, A.⁶

31
- 0001398008
- Wang, J.; Cieplak, P.; Kollman, P. A. J. Comput. Chem Phys. 2000, 21, 1049.
- (2000) J. Comput. Chem Phys , vol.21 , pp. 1049
- Wang, J.¹ Cieplak, P.² Kollman, P.A.³

32
- 1442287309
- Yoda, T.; Sugita, Y.; Okamoto, Y. Chem. Phys. Lett. 2004, 386, 460.
- (2004) Chem. Phys. Lett , vol.386 , pp. 460
- Yoda, T.¹ Sugita, Y.² Okamoto, Y.³

33
- 0041724517
- Gould, I. R.; Kollman, P. A. J. Phys. Chem. 1992, 96, 9255.
- (1992) J. Phys. Chem , vol.96 , pp. 9255
- Gould, I.R.¹ Kollman, P.A.²

34
- 0001568871
- Apostolakis, J.; Ferrara, P.; Caflisch, A. J. Chem. Phys. 1999, 110, 2099.
- (1999) J. Chem. Phys , vol.110 , pp. 2099
- Apostolakis, J.¹ Ferrara, P.² Caflisch, A.³

35
- 0001102309
- Smith, P. E. J. Chem. Phys. 1999, 111, 5568.
- (1999) J. Chem. Phys , vol.111 , pp. 5568
- Smith, P.E.¹

36
- 3142714765
- Mackerell, A. D., Jr.; Feig, M.; Brooks, C. L. J. Comput. Chem. 2004, 25, 1400.
- (2004) J. Comput. Chem , vol.25 , pp. 1400
- Mackerell Jr., A.D.¹ Feig, M.² Brooks, C.L.³

37
- 10944260594
- Chekmarev, D. S.; Ishida, T.; Levy, R. M. J. Phys. Chem. B 2004, 108, 19487.
- (2004) J. Phys. Chem. B , vol.108 , pp. 19487
- Chekmarev, D.S.¹ Ishida, T.² Levy, R.M.³

38
- 34247382025
- Chodera, J. D.; Swope, W. C.; Pitera, J. W.; Dill, K. A. Multiscale Model. Simul. 2006, 5, 1214.
- (2006) Multiscale Model. Simul , vol.5 , pp. 1214
- Chodera, J.D.¹ Swope, W.C.² Pitera, J.W.³ Dill, K.A.⁴

39
- 1242295205
- Takekiyo, T.; Imai, T.; Kato, M.; Taniguchi, Y. Biopolymers 2004, 73, 283.
- (2004) Biopolymers , vol.73 , pp. 283
- Takekiyo, T.¹ Imai, T.² Kato, M.³ Taniguchi, Y.⁴

40
- 0001471515
- Bond, S. D.; Leimkuhler, B. J.; Laird, B. B. J. Comput. Phys. 1999, 151, 114.
- (1999) J. Comput. Phys , vol.151 , pp. 114
- Bond, S.D.¹ Leimkuhler, B.J.² Laird, B.B.³

41
- 0035585460
- Nose, S. J. Phys. Soc. Jpn. 2001, 70, 75.
- (2001) J. Phys. Soc. Jpn , vol.70 , pp. 75
- Nose, S.¹

42
- 33847664584
- Okumura, H.; Itoh, S. G.; Okamoto, Y. J. Chem. Phys. 2007, 126, 084103.
- (2007) J. Chem. Phys , vol.126 , pp. 084103
- Okumura, H.¹ Itoh, S.G.² Okamoto, Y.³

43
- 0037157302
- Miller, T. F.; Eleftheriou, M.; Pattnaik, P.; Ndirango, A.; Newns, D.; Martyna, G. J. J. Chem. Phys. 2002, 116, 8649.
- (2002) J. Chem. Phys , vol.116 , pp. 8649
- Miller, T.F.¹ Eleftheriou, M.² Pattnaik, P.³ Ndirango, A.⁴ Newns, D.⁵ Martyna, G.J.⁶

44
- 0001005075
- Yoshida, H. Phys. Lett. A 1990, 150, 262.
- (1990) Phys. Lett. A , vol.150 , pp. 262
- Yoshida, H.¹

45
- 0001629677
- Berg, B. A.; Celik, T. Phys. Rev. Lett. 1992, 69, 2292.
- (1992) Phys. Rev. Lett , vol.69 , pp. 2292
- Berg, B.A.¹ Celik, T.²

46
- 0002061484
- and 2353E
- Lee, J. Phys. Rev. Lett. 1993, 71, 211 and 2353(E).
- (1993) Phys. Rev. Lett , vol.71 , pp. 211
- Lee, J.¹

47
- 0029342240
- Okamoto, Y.; Hansmann, U. H. E. J. Phys. Chem. 1995, 99, 11276.
- (1995) J. Phys. Chem , vol.99 , pp. 11276
- Okamoto, Y.¹ Hansmann, U.H.E.²

48
- 0004016501
- Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. J. Chem. Phys. 1983, 79, 926.
- (1983) J. Chem. Phys , vol.79 , pp. 926
- Jorgensen, W.L.¹ Chandrasekhar, J.² Madura, J.D.³ Impey, R.W.⁴ Klein, M.L.⁵

49
- 0042311829
- Hansmann, U. H. E.; Wille, L. T. Phys. Rev. Lett. 2002, 88, 068105.
- (2002) Phys. Rev. Lett , vol.88 , pp. 068105
- Hansmann, U.H.E.¹ Wille, L.T.²

50
- 6644221271
- Wang, F.; Landau, D. P. Phys. Rev. Lett. 2001, 86, 2050.
- (2001) Phys. Rev. Lett , vol.86 , pp. 2050
- Wang, F.¹ Landau, D.P.²

51
- 0029119568
- Sayle, R. A.; Milner-White, E. J. Trends. Biochem. Sci. 1995, 20, 374.
- (1995) Trends. Biochem. Sci , vol.20 , pp. 374
- Sayle, R.A.¹ Milner-White, E.J.²

52
- 14644408446
- World Scientific: Singapore
- Berg, B. A. Introduction to Monte Carlo Simulations and Their Statistical Analysis; World Scientific: Singapore, 2004.
- (2004) Introduction to Monte Carlo Simulations and Their Statistical Analysis
- Berg, B.A.¹

53
- 0010159070
- Chandler, D.; Andersen, H. C. J. Chem. Phys. 1972, 57, 1930.
- (1972) J. Chem. Phys , vol.57 , pp. 1930
- Chandler, D.¹ Andersen, H.C.²

54
- 4143083651
- Hirata, F.; Rossky, P. J. Chem. Phys. Lett. 1981, 83, 329.
- (1981) Chem. Phys. Lett , vol.83 , pp. 329
- Hirata, F.¹ Rossky, P.J.²

55
- 33645723455
- Perkyns, J. S.; Pettitt, B. M. Chem. Phys. Lett. 1992, 190, 626.
- (1992) Chem. Phys. Lett , vol.190 , pp. 626
- Perkyns, J.S.¹ Pettitt, B.M.²

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