SCOPUS 정보 검색 플랫폼

Molecular Physics

Volumn 111, Issue 22-23, 2013, Pages 3345-3362

Using collective variables to drive molecular dynamics simulations

(3) Fiorin, Giacomo a Klein, Michael L a Hénin, Jérôme b

a Temple University (United States)

b CNRS (France)

Author keywords

Adaptive bias; Collective variable; Free energy calculation; Molecular dynamics simulation; Sampling

Indexed keywords

APPLICATION PROGRAMS; COMPUTER PROGRAMMING; FREE ENERGY; SAMPLING;

ADAPTIVE BIAS; ADAPTIVE BIASING FORCES; COLLECTIVE VARIABLES; FREE-ENERGY CALCULATIONS; MASSIVELY PARALLELS; MODULAR FRAMEWORK; MOLECULAR DYNAMICS SIMULATIONS; SOFTWARE FRAMEWORKS;

MOLECULAR DYNAMICS;

EID: 84889585833 PISSN: 00268976 EISSN: 13623028 Source Type: Journal
DOI: 10.1080/00268976.2013.813594 Document Type: Article

Times cited : (765)

References (75)

1
- 0342929614
- G.M. Torrie and 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

2
- 4243661501
- E.A. Carter, G. Ciccotti, J.T. Hynes, and 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

3
- 0028710015
- T. Huber, A.E. Torda, and W.F. Van Gunsteren, J. Comput. Aided Mol. Des. 8, 695 (1994
- (1994) J. Comput. Aided Mol. des , vol.8 , pp. 695
- Huber, T.¹ Torda, A.E.² Van Gunsteren, W.F.³

4
- 0000689085
- H. Grubmüller, Phys. Rev. E 52(3), 2893 (1995
- (1995) Phys. Rev , vol.E52 , Issue.3 , pp. 2893
- Grubmüller, H.¹

5
- 0035935802
- E. Darve and A. Pohorille, J. Chem. Phys. 115, 9169 (2001
- (2001) J. Chem Phys , vol.115 , pp. 9169
- Darve, E.¹ Pohorille, A.²

6
- 0002589683
- L. Rosso and M.E. Tuckerman, Mol. Sim. 28, 91 (2002
- (2002) Mol. Sim , vol.28 , pp. 91
- Rosso, L.¹ Tuckerman, M.E.²

7
- 0036790894
- A. Laio and M. Parrinello, Proc. Natl. Acad. Sci. USA 99, 12562 (2002
- (2002) Proc. Natl. Acad. Sci. USA , vol.99 , pp. 12562
- Laio, A.¹ Parrinello, M.²

8
- 84889590525
- L. Maragliano and E. Vanden-Eijnden, Chem. Phys. Lett. 426, 168175 (2006
- (2006) Chem. Phys. Lett , vol.426 , pp. 168175
- Maragliano, L.¹ Vanden-Eijnden, E.²

9
- 34548680131
- editors (Springer-Verlag Berlin
- C. Chipot and A. Pohorille, editors, Free Energy Calculations. Theory and Applications in Chemistry and Biology (Springer-Verlag, Berlin, 2006
- (2006) Free Energy Calculations Theory and Applications in Chemistry and Biology
- Chipot, C.¹ Pohorille, A.²

10
- 0001616080
- Y. Sugita and Y. Okamoto, Chem. Phys. Lett. 314, 141 (1999
- (1999) Chem. Phys. Lett , vol.314 , pp. 141
- Sugita, Y.¹ Okamoto, Y.²

11
- 0034294024
- Y. Sugita, A. Kitao, and Y. Okamoto, J. Chem. Phys. 113 (15), 6042 (2000
- (2000) J. Chem Phys , vol.113 , Issue.15 , pp. 6042
- Sugita, Y.¹ Kitao, A.² Okamoto, Y.³

12
- 0037157317
- H. Fukunishi, O. Watanabe, and S. Takada, J. Chem. Phys. 116 (20), 9058 (2002
- (2002) J. Chem Phys , vol.116 , Issue.20 , pp. 9058
- Fukunishi, H.¹ Watanabe, O.² Takada, S.³

13
- 0000729781
- C. Dellago, P.G. Bolhuis, F.S. Csajka, and D. Chandler, J. Chem. Phys. 108 (5), 1964 (1998
- (1998) J. Chem. Phys , vol.108 , Issue.5 , pp. 1964
- Dellago, C.¹ Bolhuis, P.G.² Csajka, F.S.³ Chandler, D.⁴

14
- 0036696910
- E. Weinan, W.Q. Ren, and E. Vanden-Eijnden, Phys. Rev. B 66 (5) 052301 (2002
- (2002) Phys. Rev , vol.B66 , Issue.5 , pp. 052301
- Weinan, E.¹ Ren, W.Q.² Vanden-Eijnden, E.³

15
- 3042545299
- A.K. Faradjian and R. Elber, J. Chem. Phys. 120 (23), 10880 (2004
- (2004) J. Chem Phys , vol.120 , Issue.23 , pp. 10880
- Faradjian, A.K.¹ Elber, R.²

16
- 1442281293
- A.F. Voter, J. Chem. Phys. 106, 4665 (1997
- (1997) J. Chem. Phys , vol.106 , pp. 4665
- Voter, A.F.¹

17
- 3142716857
- D. Hamelberg, H. Mongan, and J.A. McCammon, J. Chem. Phys. 120 (24), 11919 (2004
- (2004) J. Chem Phys , vol.120 , Issue.24 , pp. 11919
- Hamelberg, D.¹ Mongan, H.² McCammon, J.A.³

18
- 27344436659
- J.C. Phillips, R. Braun,W.Wang, J. Gumbart, E. Tajkhorshid, E. Villa, C. Chipot, R.D. Skeel, L. Kaĺe, and K. Schulten, J. Comput. Chem. 26, 1781 (2005
- (2005) J. Comput. Chem , vol.26 , pp. 1781
- Phillips, J.C.¹ Braun, W.² Wang, R.³ Gumbart, J.⁴ Tajkhorshid, E.⁵ Villa, E.⁶ Chipot, C.⁷ Skeel, R.D.⁸ Kaĺe, L.⁹ Schulten, K.¹⁰

19
- 4344626411
- University of Illinois at Urbana-Champaign, Urbana IL
- M. Bhandarkar, A. Bhatele, E. Bohm, R. Brunner, F. Buelens, C. Chipot, A. Dalke, S. Dixit, G. Fiorin, P. Freddolino, P. Grayson, J. Gullingsrud, A. Gursoy,D. Hardy, C. Harrison, J. H'enin, W. Humphrey, D. Hurwitz, N. Krawetz, S. Kumar, D. Kunzman, C. Lee, R. McGreevy, C. Mei, M. Nelson, J. Phillips, O. Sarood, A. Shinozaki, D. Tanner, G. Zheng, and F. Zhu, NAMD User's Guide, version 2.8 (University of Illinois at Urbana-Champaign, Urbana, IL, 2011
- (2011) NAMD User's Guide, Version 2.8
- Bhandarkar, M.¹ Bhatele, A.² Bohm, E.³ Brunner, R.⁴ Buelens, F.⁵ Chipot, C.⁶ Dalke, A.⁷ Dixit, S.⁸ Fiorin, G.⁹ Freddolino, P.¹⁰ Grayson, P.¹¹ Gullingsrud, J.¹² Gursoyd. Hardy, A.¹³ Harrison, C.¹⁴ H'Enin, J.¹⁵ Humphrey, W.¹⁶ Hurwitz, D.¹⁷ Krawetz, N.¹⁸ Kumar, S.¹⁹ Kunzman, D.²⁰ more..

20
- 0002467378
- S. Plimpton, J. Comput. Phys., 117 (1), 1 (1995
- (1995) J. Comput. Phys , vol.117 , Issue.1 , pp. 1
- Plimpton, S.¹

21
- 69349100797
- M. Bonomi, D. Branduardi, G. Bussi, C. Camilloni, D. Provasi, P. Raiteri, D. Donadio, F. Marinelli, F. Pietrucci, R.A. Broglia, and M. Parrinello, Comp. Phys. Comm. 180 (10), 1961 (2009
- (2009) Comp. Phys. Comm , vol.180 , Issue.10 , pp. 1961
- Bonomi, M.¹ Branduardi, D.² Bussi, G.³ Camilloni, C.⁴ Provasi, D.⁵ Raiteri, P.⁶ Donadio, D.⁷ Marinelli, F.⁸ Pietrucci, F.⁹ Broglia, R.A.¹⁰ Parrinello, M.¹¹

22
- 33646471468
- J.G. Kirkwood, J. Chem. Phys. 3, 300 (1935
- (1935) J. Chem. Phys , vol.3 , pp. 300
- Kirkwood, J.G.¹

23
- 0000280446
- W.K. Den Otter, J. Chem. Phys. 112, 7283 (2000
- (2000) J. Chem. Phys , vol.112 , pp. 7283
- Den Otter, W.K.¹

24
- 24944568819
- G. Ciccotti, R. Kapral, and E. Vanden-Eijnden, Chem. Phys. Chem. 6 (9), 1809 (2005
- (2005) Chem. Phys. Chem , vol.6 , Issue.9 , pp. 1809
- Ciccotti, G.¹ Kapral, R.² Vanden-Eijnden, E.³

25
- 77950102787
- J. H́enin, G. Fiorin, C. Chipot, and M.L. Klein, J. Chem. Theory Comput. 6 (1), 35 (2010
- (2010) J. Chem Theory Comput , vol.6 , Issue.1 , pp. 35
- H́enin, J.¹ Fiorin, G.² Chipot, C.³ Klein, M.L.⁴

26
- 38349091489
- A. Barducci, G. Bussi, and M. Parrinello, Phys. Rev. Lett. 100 (2), 020603 (2008
- (2008) Phys. Rev. Lett , vol.100 , Issue.2 , pp. 020603
- Barducci, A.¹ Bussi, G.² Parrinello, M.³

27
- 45949108535
- A.C. Pan, D. Sezer, and B. Roux, J. Phys. Chem. B 112 (11), 3432 (2008
- (2008) J. Phys. Chem , vol.B112 , Issue.11 , pp. 3432
- Pan, A.C.¹ Sezer, D.² Roux, B.³

28
- 8344246968
- E.A. Coutsias, C. Seok, and K.A. Dill, J. Comput. Chem. 25 (15), 1849 (2004
- (2004) J. Comput. Chem , vol.25 , Issue.15 , pp. 1849
- Coutsias, E.A.¹ Seok, C.² Dill, K.A.³

29
- 0000932929
- D.C. Rapaport, J. Comput. Phys. 60 (2), 306 (1985
- (1985) J. Comput. Phys , vol.60 , Issue.2 , pp. 306
- Rapaport, D.C.¹

30
- 0005327266
- Part b
- N.S. Martys and R.D.Mountain, Phys. Rev. E 59 (3, Part b), 3733 (1999
- (1999) Phys. Rev , vol.E59 , Issue.3 , pp. 3733
- Martys, N.S.¹ Mountain, R.D.²

31
- 0037157302
- T.F. Miller, M. Eleftheriou, P. Pattnaik, A. Ndirango, D. Newns, and G.J. Martyna, J. Chem. Phys. 116 (20), 8649 (2002
- (2002) J. Chem Phys , vol.116 , Issue.20 , pp. 8649
- Miller, T.F.¹ Eleftheriou, M.² Pattnaik, P.³ Ndirango, A.⁴ Newns, D.⁵ Martyna, G.J.⁶

32
- 20544474227
- H. Kamberaj, R.J. Low, and M.P. Neal, J. Chem. Phys. 122 (22), 224114 (2005
- (2005) J. Chem Phys , vol.122 , Issue.22 , pp. 224114
- Kamberaj, H.¹ Low, R.J.² Neal, M.P.³

33
- 58149122701
- A.V. Akimov, A.V. Nemukhin, A.A. Moskovsky, A.B. Kolomeisky, and J.M. Tour, J. Chem. Theory Comput. 4 (4), 652 (2008
- (2008) J. Chem Theory Comput , vol.4 , Issue.4 , pp. 652
- Akimov, A.V.¹ Nemukhin, A.V.² Moskovsky, A.A.³ Kolomeisky, A.B.⁴ Tour, J.M.⁵

34
- 43949138917
- D. Sezer, J.H. Freed, and B. Roux, J. Chem. Phys. 128 (16), 5755 (2008
- (2008) J. Chem Phys , vol.128 , Issue.16 , pp. 5755
- Sezer, D.¹ Freed, J.H.² Roux, B.³

35
- 0004016501
- W.L. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impey, and M.L. Klein, J. Chem. Phys. 79, 926 (1983
- (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

36
- 0029011701
- W.D. Cornell, P. Cieplak, C.I. Bayly, I.R. Gould, K.M. Merz, Jr, D.M. Ferguson, D.C. Spellmeyer, T. Fox, J.C. Caldwell, and P.A. Kollman, J. Am. Chem. Soc. 117, 5179 (1995
- (1995) J. Am. Chem. Soc , vol.117 , pp. 5179
- Cornell, W.D.¹ Cieplak, P.² Bayly, C.I.³ Gould, I.R.⁴ Merz Jr., K.M.⁵ Ferguson, D.M.⁶ Spellmeyer, D.C.⁷ Fox, T.⁸ Caldwell, J.C.⁹ Kollman, P.A.¹⁰

37
- 0041784950
- A.D. MacKerell, D. Bashford, M. Bellott, R.L. Dunbrack, J.D. Evanseck, M.J. Field, S. Fischer, J. Gao, H. Guo, S. Ha, D. Joseph-McCarthy, L. Kuchnir, K. Kuczera, F.T.K. Lau, C. Mattos, S. Michnick, T. Ngo, D.T. Nguyen, B. Prodhom, W.E. Reiher, B. Roux, M. Schlenkrich, J.C. Smith, R. Stote, J. Straub, M. Watanabe, J. Wiorkiewicz-Kuczera, D. Yin, and M. Karplus, J. Phys. Chem. B 102 (18), 3586 (1998
- (1998) J. Phys. Chem , vol.B102 , Issue.18 , pp. 3586
- MacKerell, A.D.¹ Bashford, D.² Bellott, M.³ Dunbrack, R.L.⁴ Evanseck, J.D.⁵ Field, M.J.⁶ Fischer, S.⁷ Gao, J.⁸ Guo, H.⁹ Ha, S.¹⁰ Joseph-Mccarthy, D.¹¹ Kuchnir, L.¹² Kuczera, K.¹³ Lau, F.T.K.¹⁴ Mattos, C.¹⁵ Michnick, S.¹⁶ Ngo, T.¹⁷ Nguyen, D.T.¹⁸ Prodhom, B.¹⁹ Reiher, W.E.²⁰ more..

38
- 0029912748
- W.L. Jorgensen, D.S. Maxwell, and J. Tirado-Rives, J. Am. Chem. Soc. 118 (45), 11225 (1996
- (1996) J. Am. Chem. Soc , vol.118 , Issue.45 , pp. 11225
- Jorgensen, W.L.¹ Maxwell, D.S.² Tirado-Rives, J.³

39
- 0035425883
- L.D. Schuler, X. Daura, andW.F. Van Gunsteren, J. Comput. Chem. 22 (11), 1205 (2001
- (2001) J. Comput. Chem , vol.22 , Issue.11 , pp. 1205
- Schuler, L.D.¹ Daura, X.² Van Gunsteren, W.F.³

40
- 0042041206
- A.K. Rappe, C.J. Casewit, K.S. Colwell,W.A. Goddard, and W.M. Skiff, J. Am. Chem. Soc. 114 (25), 10024 (1992
- (1992) J. Am. Chem. Soc , vol.114 , Issue.25 , pp. 10024
- Rappe, A.K.¹ Casewit, C.J.² Colwell, K.S.³ Goddard, W.A.⁴ Skiff, W.M.⁵

41
- 33947408324
- W. Shinoda, R. DeVane, andM.L. Klein,Mol. Sim. 33 (1-2), 27 (2007
- (2007) Mol. Sim , vol.33 , Issue.1-2 , pp. 27
- Shinoda, W.¹ Devane, R.² Klein, M.L.³

42
- 0027441950
- A. Amadei, A.B.M. Linssen, and H.J.C. Berendsen, Proteins 17 (4), 412 (1993
- (1993) Proteins , vol.17 , Issue.4 , pp. 412
- Amadei, A.¹ Linssen, A.B.M.² Berendsen, H.J.C.³

43
- 77950448255
- C.F. Abrams and E. Vanden-Eijnden, Proc. Natl. Acad. Sci. USA 107 (11), 4961 (2010
- (2010) Proc. Natl. Acad. Sci. USA , vol.107 , Issue.11 , pp. 4961
- Abrams, C.F.¹ Vanden-Eijnden, E.²

44
- 33749172039
- N.M. Glykos, J. Comput. Chem. 27 (14), 1765 (2006
- (2006) J. Comput. Chem , vol.27 , Issue.14 , pp. 1765
- Glykos, N.M.¹

45
- 77950142931
- D. Alemani, F. Collu, M. Cascella, and M. Dal Peraro, J. Chem. Theory Comput. 6 (1), 315 (2010
- (2010) J. Chem Theory Comput , vol.6 , Issue.1 , pp. 315
- Alemani, D.¹ Collu, F.² Cascella, M.³ Dal Peraro, M.⁴

46
- 0041810451
- M. Iannuzzi, A. Laio, and M. Parrinello, Phys. Rev. Lett. 90 (23), 238302 (2003
- (2003) Phys. Rev. Lett , vol.90 , Issue.23 , pp. 238302
- Iannuzzi, M.¹ Laio, A.² Parrinello, M.³

47
- 10844292652
- Y. Mu, P.H.Nguyen, and G. Stock, Proteins 58 (1), 45 (2005
- (2005) Proteins , vol.58 , Issue.1 , pp. 45
- Mu, Y.¹ Nguyen, P.H.² Stock, G.³

48
- 34547297406
- A. Altis, P.H. Nguyen, R. Hegger, and G. Stock, J. Chem. Phys. 126 (24), 244111 (2007
- (2007) J. Chem Phys , vol.126 , Issue.24 , pp. 244111
- Altis, A.¹ Nguyen, P.H.² Hegger, R.³ Stock, G.⁴

49
- 84872875683
- J.Wang, Y.Wu, C. Ma, G. Fiorin, J.Wang, L.H. Pinto, R.A. Lamb, M.L. Klein, andW.F. DeGrado, Proc. Natl. Acad. Sci. USA 110 (4), 1315 (2013
- (2013) Proc. Natl. Acad. Sci. USA , vol.110 , Issue.4 , pp. 1315
- Wang, J.¹ Wu, Y.² Ma, C.³ Fiorin, G.⁴ Wang, J.⁵ Pinto, L.H.⁶ Lamb, R.A.⁷ Klein, M.L.⁸ Degrado, W.F.⁹

50
- 77956275726
- G. Brannigan, D.N. LeBard, J. H́enin, R.G. Eckenhoff, and M.L. Klein, Proc. Natl. Acad. Sci. USA 107 (32), 14122 (2010
- (2010) Proc. Natl. Acad. Sci. USA , vol.107 , Issue.32 , pp. 14122
- Brannigan, G.¹ Lebard, D.N.² H́enin, J.³ Eckenhoff, R.G.⁴ Klein, M.L.⁵

51
- 0025222978
- K.T. ONeil and W.F. DeGrado, Science 250 (4981), 646 (1990
- (1990) Science , vol.250 , Issue.4981 , pp. 646
- Oneil, K.T.¹ Degrado, W.F.²

52
- 0033099697
- K. Daniilidis, Int. J. Robot. Res. 18 (3), 286 (1999
- (1999) Int. J. Robot. Res , vol.18 , Issue.3 , pp. 286
- Daniilidis, K.¹

53
- 84889571386
- June 25-28, 2006, Luoyang, China
- C. Hu,M.Q.H.Meng, M. Mandal, and P.X. Liu, Proceedings of the 2006 IEEE International Conference on Mechatronics and Automation, June 25-28, 2006, Luoyang, China, 2006
- (2006) Proceedings of the 2006 IEEE International Conference on Mechatronics and Automation
- Hum, Q.H.¹ Meng, C.² Mandal, M.³ Liu, P.X.⁴

54
- 33646719091
- G. Lipari andA. Szabo, J. Am.Chem. Soc. 104, 4546 (1982
- (1982) J. Am.Chem. Soc , vol.104 , pp. 4546
- Lipari, G.¹ Szabo, A.²

55
- 65249124122
- Y. Deng and B. Roux, J. Phys. Chem. B 113 (8), 2234 (2009
- (2009) J. Phys. Chem , vol.B113 , Issue.8 , pp. 2234
- Deng, Y.¹ Roux, B.²

56
- 84872165531
- J.C. Gumbart, B. Roux, and C. Chipot, J. Chem. Theory Comput. 9, 794 (2013
- (2013) J. Chem Theory Comput , vol.9 , pp. 794
- Gumbart, J.C.¹ Roux, B.² Chipot, C.³

57
- 0030987036
- S. Izrailev, S. Stepaniants, M. Balsera, Y. Oono, and K. Schulten, Biophys. J. 72 (4), 1568 (1997
- (1997) Biophys. J. , vol.72 , Issue.4 , pp. 1568
- Izrailev, S.¹ Stepaniants, S.² Balsera, M.³ Oono, Y.⁴ Schulten, K.⁵

58
- 36849122972
- R.W. Zwanzig, J. Chem. Phys. 22, 1420 (1954
- (1954) J. Chem. Phys , vol.22 , pp. 1420
- Zwanzig, R.W.¹

59
- 0028455053
- J. Schlitter, M. Engels, and P. Krüger, J. Mol. Graph. 12 (2), 84 (1994
- (1994) J. Mol. Graph , vol.12 , Issue.2 , pp. 84
- Schlitter, J.¹ Engels, M.² Krüger, P.³

60
- 42149194240
- E. Darve, D. Rodŕiguez-Ǵomez, and A. Pohorille, J. Chem. Phys. 128 (14), 144120 (2008
- (2008) J. Chem Phys , vol.128 , Issue.14 , pp. 144120
- Darve, E.¹ Rodŕiguez-Ǵomez, D.² Pohorille, A.³

61
- 4344660645
- J. H́enin and C. Chipot, J. Chem. Phys. 121, 2904 (2004
- (2004) J. Chem Phys , vol.121 , pp. 2904
- H́enin, J.¹ Chipot, C.²

62
- 34147094596
- T. Leliévre, M. Rousset, and G. Stoltz, J. Chem. Phys. 126 (13), 134111 (2007
- (2007) J. Chem. Phys , vol.126 , Issue.13 , pp. 134111
- Leliévre, T.¹ Rousset, M.² Stoltz, G.³

63
- 84967371786
- Imperial College Press, London
- T. Leliévre, M. Rousset, and G. Stoltz, Free Energy Computations: A Mathematical Perspective (Imperial College Press, London, 2010
- (2010) Free Energy Computations: A Mathematical Perspective
- Leliévre, T.¹ Rousset, M.² Stoltz, G.³

64
- 84863366516
- L. Zheng andW. Yang, J. Chem. Theory Comput. 8 (3), 810 (2012
- (2012) J. Chem. Theory Comput , vol.8 , Issue.3 , pp. 810
- Zheng, L.¹ Yang, W.²

65
- 58149512801
- L. Zheng, M. Chen, and W. Yang, Proc. Natl. Acad. Sci. USA 105 (51), 20227 (2008
- (2008) Proc. Natl. Acad. Sci. USA , vol.105 , Issue.51 , pp. 20227
- Zheng, L.¹ Chen, M.² Yang, W.³

66
- 1842479952
- A. Onufriev, D. Bashford, and D.A. Case, Proteins 55, 383 (2004
- (2004) Proteins , vol.55 , pp. 383
- Onufriev, A.¹ Bashford, D.² Case, D.A.³

67
- 0035789518
- E. Lindahl, B. Hess, and D. Van Der Spoel, J. Mol. Mod. 7, 306 (2001
- (2001) J. Mol. Mod , vol.7 , pp. 306
- Lindahl, E.¹ Hess, B.² Spoel Der D.Van³

68
- 12944249776
- W. Kabsch, Acta Cryst. 34 (5), 827 (1978
- (1978) Acta Cryst , vol.34 , Issue.5 , pp. 827
- Kabsch, W.¹

69
- 33645961739
- U. Essman, L. Perela, M.L. Berkowitz, T. Darden, H. Lee, and L.G. Pedersen, J. Chem. Phys. 103, 8577 (1995
- (1995) J. Chem Phys , vol.103 , pp. 8577
- Essman, U.¹ Perela, L.² Berkowitz, M.L.³ Darden, T.⁴ Lee, H.⁵ Pedersen, L.G.⁶

70
- 33644769684
- P. Raiteri, A. Laio, F. L. Gervasio, C. Micheletti, and M. Parrinello, J. Phys. Chem. B 110 (8), 3533 (2006
- (2006) J. Phys. Chem , vol.B110 , Issue.8 , pp. 3533
- Raiteri, P.¹ Laio, A.² Gervasio, F.L.³ Micheletti, C.⁴ Parrinello, M.⁵

71
- 33750040264
- G. Bussi, F.L. Gervasio, A. Laio, and M. Parrinello, J. Am. Chem. Soc. 128 (41), 13435 (2006
- (2006) J. Am. Chem. Soc , vol.128 , Issue.41 , pp. 13435
- Bussi, G.¹ Gervasio, F.L.² Laio, A.³ Parrinello, M.⁴

72
- 34249071886
- S. Piana and A. Laio, J. Phys. Chem. B 111 (17), 4553 (2007
- (2007) J. Phys. Chem , vol.B111 , Issue.17 , pp. 4553
- Piana, S.¹ Laio, A.²

73
- 33847357757
- M. Hagen, B. Kim, P. Liu, R.A. Friesner, and B.J. Berne, J. Phys. Chem. B 111 (6), 1416 (2007
- (2007) J. Phys. Chem , vol.B111 , Issue.6 , pp. 1416
- Hagen, M.¹ Kim, B.² Liu, P.³ Friesner, R.A.⁴ Berne, B.J.⁵

74
- 40549122637
- E. Gallicchio, R.M. Levy, and M. Parashar, J. Comput. Chem. 29 (5), 788 (2008
- (2008) J. Comput. Chem , vol.29 , Issue.5 , pp. 788
- Gallicchio, E.¹ Levy, R.M.² Parashar, M.³

75
- 73949096788
- S. Rauscher, C. Neale, and R. Pomés, J. Chem. Theory Comput. 5 (10), 2640 (2009
- (2009) J. Chem. Theory Comput , vol.5 , Issue.10 , pp. 2640
- Rauscher, S.¹ Neale, C.² Pomés, R.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.