SCOPUS 정보 검색 플랫폼

Journal of Chemical Theory and Computation

Volumn 6, Issue 7, 2010, Pages 1935-1950

Optimal weights in serial generalized-ensemble simulations

(1) Chelli, Riccardo a,b

a UNIVERSITY OF FLORENCE (Italy)

b UNIVERSITY OF FLORENCE (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79251617493 PISSN: 15499618 EISSN: 15499626 Source Type: Journal
DOI: 10.1021/ct100105z Document Type: Article

Times cited : (30)

References (55)

1
- 1942455272
- Okamoto, Y. J. Mol. Graphics Modell. 2004, 22, 425.
- (2004) J. Mol. Graphics Modell. , vol.22 , pp. 425
- Okamoto, Y.¹

2
- 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

3
- 0000235749
- Berg, B. A. Int. J. Mod. Phys. C 1992, 3, 1083.
- (1992) Int. J. Mod. Phys. C , vol.3 , pp. 1083
- Berg, B.A.¹

4
- 33644899039
- Marinari, E.; Parisi, G. Europhys. Lett. 1992, 19, 451.
- (1992) Europhys. Lett. , vol.19 , pp. 451
- Marinari, E.¹ Parisi, G.²

5
- 84953648015
- Lyubartsev, A. P.; Martsinovski, A. A.; Shevkunov, S. V.; Vorontsov-Velyaminov, P. N. J. Chem. Phys. 1992, 96, 1776.
- (1992) J. Chem. Phys. , vol.96 , pp. 1776
- Lyubartsev, A.P.¹ Martsinovski, A.A.² Shevkunov, S.V.³ Vorontsov-Velyaminov, P.N.⁴

6
- 73949096788
- Rauscher, S.; Neale, C.; Pomes, R. J. Chem. Theory Comput. 2009, 5, 2640.
- (2009) J. Chem. Theory Comput. , vol.5 , pp. 2640
- Rauscher, S.¹ Neale, C.² Pomes, R.³

7
- 0031578972
- Hansmann, U. H. E. Chem. Phys. Lett. 1997, 281, 140.
- (1997) Chem. Phys. Lett. , vol.281 , pp. 140
- Hansmann, U.H.E.¹

8
- 0001616080
- Sugita, Y.; Okamoto, Y. Chem. Phys. Lett. 1999, 314, 141.
- (1999) Chem. Phys. Lett. , vol.314 , pp. 141
- Sugita, Y.¹ Okamoto, Y.²

9
- 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

10
- 0039924671
- Tesi, M. C.; van Rensburg, E. J. J.; Orlandini, E.; Whittington, S. G. J. Stat. Phys. 1996, 82, 155.
- (1996) J. Stat. Phys. , vol.82 , pp. 155
- Tesi, M.C.¹ Van Rensburg, E.J.J.² Orlandini, E.³ Whittington, S.G.⁴

11
- 0034864528
- Mitsutake, A.; Sugita, Y.; Okamoto, Y. Biopolymers 2001, 60, 96.
- (2001) Biopolymers , vol.60 , pp. 96
- Mitsutake, A.¹ Sugita, Y.² Okamoto, Y.³

12
- 65549164421
- Mitsutake, A.; Okamoto, Y. Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. 2009, 79, 047701.
- (2009) Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. , vol.79 , pp. 047701
- Mitsutake, A.¹ Okamoto, Y.²

13
- 70449379953
- Lee, A. J.; Rick, S. W. J. Chem. Phys. 2009, 131, 174113.
- (2009) J. Chem. Phys. , vol.131 , pp. 174113
- Lee, A.J.¹ Rick, S.W.²

14
- 68149136569
- Ballard, A. J.; Jarzynski, C. Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 12224.
- (2009) Proc. Natl. Acad. Sci. U.S.A. , vol.106 , pp. 12224
- Ballard, A.J.¹ Jarzynski, C.²

15
- 0037961507
- Mitsutake, A.; Sugita, Y.; Okamoto, Y. J. Chem. Phys. 2003, 118, 6664.
- (2003) J. Chem. Phys. , vol.118 , pp. 6664
- Mitsutake, A.¹ Sugita, Y.² Okamoto, Y.³

16
- 4344612164
- Mitsutake, A.; Okamoto, Y. J. Chem. Phys. 2004, 121, 2491.
- (2004) J. Chem. Phys. , vol.121 , pp. 2491
- Mitsutake, A.¹ Okamoto, Y.²

17
- 0346350789
- Woods, C. J.; Essex, J. W.; King, M. A. J. Phys. Chem. B 2003, 107, 13703.
- (2003) J. Phys. Chem. B , vol.107 , pp. 13703
- Woods, C.J.¹ Essex, J.W.² King, M.A.³

18
- 25444481354
- Liu, P.; Kim, B.; Friesner, R. A.; Berne, B. J. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 13749.
- (2005) J. Proc. Natl. Acad. Sci. U.S.A. , vol.102 , pp. 13749
- Liu, P.¹ Kim, B.² Friesner, R.A.³ Berne, B.⁴

19
- 73949119914
- Denschlag, R.; Lingenheil, M.; Tavan, P.; Mathias, G. J. Chem. Theory Comput. 2009, 5, 2847.
- (2009) J. Chem. Theory Comput. , vol.5 , pp. 2847
- Denschlag, R.¹ Lingenheil, M.² Tavan, P.³ Mathias, G.⁴

20
- 54849424589
- Escobedo, F. A.; Martinez-Veracoechea, F. J. J. Chem. Phys. 2008, 129, 154107.
- (2008) J. Chem. Phys. , vol.129 , pp. 154107
- Escobedo, F.A.¹ Martinez-Veracoechea, F.J.²

21
- 41349094233
- Trebst, S.; Huse, D. A.; Troyer, M. Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. 2004, 70, 046701.
- (2004) Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. , vol.70 , pp. 046701
- Trebst, S.¹ Huse, D.A.² Troyer, M.³

22
- 34547191571
- Park, S.; Pande, V. S. Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. 2007, 76, 016703.
- (2007) Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. , vol.76 , pp. 016703
- Park, S.¹ Pande, V.S.²

23
- 33646471468
- Kirkwood, J. G. J. Chem. Phys. 1935, 3, 300.
- (1935) J. Chem. Phys. , vol.3 , pp. 300
- Kirkwood, J.G.¹

24
- 0003527976
- HarperCollinsPublishers: New York
- McQuarrie, D. A. Statistical Mechanics; HarperCollinsPublishers: New York, 1976.
- (1976) Statistical Mechanics
- McQuarrie, D.A.¹

25
- 84986519238
- Kumar, S.; Bouzida, D.; Swendsen, R. H.; Kollman, P. A.; Rosenberg, J. M. J. Comput. Chem. 1992, 13, 1011.
- (1992) J. Comput. Chem. , vol.13 , pp. 1011
- Kumar, S.¹ Bouzida, D.² Swendsen, R.H.³ Kollman, P.A.⁴ Rosenberg, J.M.⁵

26
- 33646987405
- Ferrenberg, A. M.; Swendsen, R. H. Phys. Rev. Lett. 1989, 63, 1195.
- (1989) Phys. Rev. Lett. , vol.63 , pp. 1195
- Ferrenberg, A.M.¹ Swendsen, R.H.²

27
- 38349105721
- Park, S. Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. 2008, 77, 016709.
- (2008) Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. , vol.77 , pp. 016709
- Park, S.¹

28
- 53449094445
- Zhang, C.; Ma, J. J. Chem. Phys. 2008, 129, 134112.
- (2008) J. Chem. Phys. , vol.129 , pp. 134112
- Zhang, C.¹ Ma, J.²

29
- 0142013225
- Hansmann, U. H. E.; Okamoto, Y. J. Comput. Chem. 1997, 18, 920.
- (1997) J. Comput. Chem. , vol.18 , pp. 920
- Hansmann, U.H.E.¹ Okamoto, Y.²

30
- 0000773431
- Irbäck, A.; Potthast, F. J. Chem. Phys. 1995, 103, 10298.
- (1995) J. Chem. Phys. , vol.103 , pp. 10298
- Irbäck, A.¹ Potthast, F.²

31
- 0000855275
- Mitsutake, A.; Okamoto, Y. Chem. Phys. Lett. 2000, 332, 131.
- (2000) Chem. Phys. Lett. , vol.332 , pp. 131
- Mitsutake, A.¹ Okamoto, Y.²

32
- 44449093098
- Huang, X.; Bowman, G. R.; Pande, V. S. J. Chem. Phys. 2008, 128, 205106.
- (2008) J. Chem. Phys. , vol.128 , pp. 205106
- Huang, X.¹ Bowman, G.R.² Pande, V.S.³

33
- 34748826172
- Zhang, C.; Ma, J. Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. 2007, 76, 036708.
- (2007) Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. , vol.76 , pp. 036708
- Zhang, C.¹ Ma, J.²

34
- 33846367739
- Park, S.; Ensign, D. L.; Pande, V. S. Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. 2006, 74, 066703.
- (2006) Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. , vol.74 , pp. 066703
- Park, S.¹ Ensign, D.L.² Pande, V.S.³

35
- 34547371385
- Chelli, R.; Marsili, S.; Barducci, A.; Procacci, P. Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. 2007, 75, 050101.
- (2007) Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. , vol.75 , pp. 050101
- Chelli, R.¹ Marsili, S.² Barducci, A.³ Procacci, P.⁴

36
- 59949096194
- Chelli, R. J. Chem. Phys. 2009, 130, 054102.
- (2009) Chem. Phys. , vol.130 , pp. 054102
- Chelli, R.J.¹

37
- 5244304444
- Bennett, C. H. J. Comput. Phys. 1976, 22, 245.
- (1976) J. Comput. Phys. , vol.22 , pp. 245
- Bennett, C.H.¹

38
- 36849122972
- Zwanzig, R. W. J. Chem. Phys. 1954, 22, 1420.
- (1954) J. Chem. Phys. , vol.22 , pp. 1420
- Zwanzig, R.W.¹

39
- 52949088587
- Shirts, M. R.; Chodera, J. D. J. Chem. Phys. 2008, 129, 124105.
- (2008) J. Chem. Phys. , vol.129 , pp. 124105
- Shirts, M.R.¹ Chodera, J.D.²

40
- 79251640890
- In Monte Carlo generalized-ensemble simulations, momenta are dropped out
- In Monte Carlo generalized-ensemble simulations, momenta are dropped out.

41
- 67249165701
- Mitsutake, A.; Okamoto, Y. J. Chem. Phys. 2009, 130, 214105.
- (2009) J. Chem. Phys. , vol.130 , pp. 214105
- Mitsutake, A.¹ Okamoto, Y.²

42
- 79251639103
- N
- N.

43
- 0001538909
- Hoover, W. G. Phys. Rev. A: At., Mol., Opt. Phys. 1985, 31, 1695.
- (1985) Phys. Rev. A: At., Mol., Opt. Phys. , vol.31 , pp. 1695
- Hoover, W.G.¹

44
- 33646645973
- Hoover, W. G. Phys. Rev. A: At., Mol., Opt. Phys. 1986, 34, 2499.
- (1986) Phys. Rev. A: At., Mol., Opt. Phys. , vol.34 , pp. 2499
- Hoover, W.G.¹

45
- 36449000062
- Martyna, G. J.; Klein, M. L.; Tuckerman, M. J. Chem. Phys. 1992, 97, 2635.
- (1992) J. Chem. Phys. , vol.97 , pp. 2635
- Martyna, G.J.¹ Klein, M.L.² Tuckerman, M.³

46
- 43249106438
- Minh, D. D. L.; Adib, A. B. Phys. Rev. Lett. 2008, 100, 180602.
- (2008) Phys. Rev. Lett. , vol.100 , pp. 180602
- Minh, D.D.L.¹ Adib, A.B.²

47
- 79251633736
- in press
- Nicolini, P.; Procacci, P.; Chelli, R. J. Phys. Chem. B 2010, in press.
- (2010) J. Phys. Chem. B
- Nicolini, P.¹ Procacci, P.² Chelli, R.³

48
- 0242677537
- Shirts, M. R.; Bair, E.; Hooker, G.; Pande, V. S. Phys. Rev. Lett. 2003, 91, 140601.
- (2003) Phys. Rev. Lett. , vol.91 , pp. 140601
- Shirts, M.R.¹ Bair, E.² Hooker, G.³ Pande, V.S.⁴

49
- 46349086990
- Williams, S. R.; Searles, D. J.; Evans, D. J. Phys. Rev. Lett. 2008, 100, 250601.
- (2008) J. Phys. Rev. Lett. , vol.100 , pp. 250601
- Williams, S.R.¹ Searles, D.J.² Evans, D.³

50
- 36449003554
- Martyna, G. J.; Tobias, D. J.; Klein, M. L. J. Chem. Phys. 1994, 101, 4177.
- (1994) J. Chem. Phys. , vol.101 , pp. 4177
- Martyna, G.J.¹ Tobias, D.J.² Klein, M.L.³

51
- 4243754128
- Jarzynski, C. Phys. Rev. Lett. 1997, 78, 2690.
- (1997) Phys. Rev. Lett. , vol.78 , pp. 2690
- Jarzynski, C.¹

52
- 0242268467
- Gore, J.; Ritort, F.; Bustamante, C. Proc. Natl. Acad. Sci. U.S.A. 2003, 100, 12564.
- (2003) Proc. Natl. Acad. Sci. U.S.A. , vol.100 , pp. 12564
- Gore, J.¹ Ritort, F.² Bustamante, C.³

53
- 0003730375
- Oxford University Press: Oxford, U.K
- Cowan, G. Statistical Data Analysis; Oxford University Press: Oxford, U.K., 1998.
- (1998) Statistical Data Analysis
- Cowan, G.¹

54
- 0037157317
- Fukunishi, H.; Watanabe, O.; Takada, S. J. Chem. Phys. 2002, 116, 9058.
- (2002) J. Chem. Phys. , vol.116 , pp. 9058
- Fukunishi, H.¹ Watanabe, O.² Takada, S.³

55
- 79251639095
- -1
- -1.

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.