-
1
-
-
0036536428
-
-
Hansson, T.; Oostenbrink, C.; van Gunsteren, W. F. Curr. Opin. Struct. Biol. 2002, 12, 190-196
-
(2002)
Curr. Opin. Struct. Biol.
, vol.12
, pp. 190-196
-
-
Hansson, T.1
Oostenbrink, C.2
Van Gunsteren, W.F.3
-
4
-
-
64649101249
-
-
Klepeis, J. L.; Lindorff-Larsen, K.; Dror, R. O.; Shaw, D. E. Curr. Opin. Struct. Biol. 2009, 19, 120-127
-
(2009)
Curr. Opin. Struct. Biol.
, vol.19
, pp. 120-127
-
-
Klepeis, J.L.1
Lindorff-Larsen, K.2
Dror, R.O.3
Shaw, D.E.4
-
6
-
-
0027794972
-
-
Schlitter, J.; Engels, M.; Krüger, P.; Jacoby, E.; Wollmer, A. Mol. Simul. 1993, 10, 291-308
-
(1993)
Mol. Simul.
, vol.10
, pp. 291-308
-
-
Schlitter, J.1
Engels, M.2
Krüger, P.3
Jacoby, E.4
Wollmer, A.5
-
7
-
-
0030987036
-
-
Izrailev, S.; Stepaniants, S.; Balsera, M.; Oono, Y.; Schulten, K. Biophys. J. 1997, 72, 1568-1581
-
(1997)
Biophys. J.
, vol.72
, pp. 1568-1581
-
-
Izrailev, S.1
Stepaniants, S.2
Balsera, M.3
Oono, Y.4
Schulten, K.5
-
9
-
-
0034294024
-
-
Sugita, Y.; Kitao, A.; Okamoto, Y. J. Chem. Phys. 2000, 113, 6042-6051
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 6042-6051
-
-
Sugita, Y.1
Kitao, A.2
Okamoto, Y.3
-
11
-
-
33746187786
-
-
Ren, W.; Vanden-Eijnden, E.; Maragakis, P.; E, W. J. Chem. Phys. 2005, 123, 134109
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 134109
-
-
Ren, W.1
Vanden-Eijnden, E.2
Maragakis, P.3
-
12
-
-
84934438414
-
-
Monticelli, L. Salonen, E. Humana Press: New York, Methods in Molecular Biology
-
Mitsutake, A.; Mori, Y.; Okamoto, Y. In Biomolecular Simulations; Monticelli, L.; Salonen, E., Eds.; Humana Press: New York, 2013; Methods in Molecular Biology, vol. 924; pp 153-195.
-
(2013)
Biomolecular Simulations
, vol.924
, pp. 153-195
-
-
Mitsutake, A.1
Mori, Y.2
Okamoto, Y.3
-
13
-
-
84934441489
-
-
Monticelli, L. Salonen, E. Humana Press: New York, Methods in Molecular Biology
-
Moradi, M.; Babin, V.; Sagui, C.; Roland, C. In Biomolecular Simulations; Monticelli, L.; Salonen, E., Eds.; Humana Press: New York, 2013; Methods in Molecular Biology, vol. 924; pp 313-337.
-
(2013)
Biomolecular Simulations
, vol.924
, pp. 313-337
-
-
Moradi, M.1
Babin, V.2
Sagui, C.3
Roland, C.4
-
17
-
-
45949108535
-
-
Pan, A.; Sezer, D.; Roux, B. J. Phys. Chem. B 2008, 20, 3432-3440
-
(2008)
J. Phys. Chem. B
, vol.20
, pp. 3432-3440
-
-
Pan, A.1
Sezer, D.2
Roux, B.3
-
18
-
-
79954557298
-
-
Ferguson, A. L.; Panagiotopoulos, A. Z.; Debenedetti, P. G.; Kevrekidis, I. G. J. Chem. Phys. 2011, 134 135103
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 135103
-
-
Ferguson, A.L.1
Panagiotopoulos, A.Z.2
Debenedetti, P.G.3
Kevrekidis, I.G.4
-
22
-
-
33745611125
-
-
Das, P.; Moll, M.; Stamati, H.; Kavraki, L. E.; Clementi, C. Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 9887-9890
-
(2006)
Proc. Natl. Acad. Sci. U.S.A.
, vol.103
, pp. 9887-9890
-
-
Das, P.1
Moll, M.2
Stamati, H.3
Kavraki, L.E.4
Clementi, C.5
-
23
-
-
77956391259
-
-
Ferguson, A. L.; Panagiotopoulos, A. Z.; Debenedetti, P. G.; Kevrekidis, I. G. Proc. Natl. Acad. Sci. U.S.A. 2010, 107, 13597-13602
-
(2010)
Proc. Natl. Acad. Sci. U.S.A.
, vol.107
, pp. 13597-13602
-
-
Ferguson, A.L.1
Panagiotopoulos, A.Z.2
Debenedetti, P.G.3
Kevrekidis, I.G.4
-
27
-
-
0028710015
-
-
Huber, T.; Torda, A. E.; van Gunsteren, W. F. J. Comput.-Aided Mol. Des. 1994, 8, 695-708
-
(1994)
J. Comput.-Aided Mol. Des.
, vol.8
, pp. 695-708
-
-
Huber, T.1
Torda, A.E.2
Van Gunsteren, W.F.3
-
28
-
-
41849093720
-
-
Babin, V.; Roland, C.; Sagui, C. J. Chem. Phys. 2008, 128, 134101
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 134101
-
-
Babin, V.1
Roland, C.2
Sagui, C.3
-
29
-
-
79952936165
-
-
Markwick, P. R. L.; Pierce, L. C. T.; Goodin, D. B.; McCammon, J. A. J. Phys. Chem. Lett. 2011, 2, 158-164
-
(2011)
J. Phys. Chem. Lett.
, vol.2
, pp. 158-164
-
-
Markwick, P.R.L.1
Pierce, L.C.T.2
Goodin, D.B.3
McCammon, J.A.4
-
30
-
-
0027441950
-
-
Amadei, A.; Linnsen, A. B. M.; Berendsen, H. J. C. Proteins: Struct., Funct., Gen. 1993, 17, 412-425
-
(1993)
Proteins: Struct., Funct., Gen.
, vol.17
, pp. 412-425
-
-
Amadei, A.1
Linnsen, A.B.M.2
Berendsen, H.J.C.3
-
31
-
-
79957744623
-
-
Ferguson, A. L.; Panagiotopoulos, A. Z.; Kevrekidis, I. G.; Debenedetti, P. G. Chem. Phys. Lett. 2011, 509, 1-11
-
(2011)
Chem. Phys. Lett.
, vol.509
, pp. 1-11
-
-
Ferguson, A.L.1
Panagiotopoulos, A.Z.2
Kevrekidis, I.G.3
Debenedetti, P.G.4
-
33
-
-
34147097967
-
-
Spiwok, V.; Lipovová, P.; Králová, B. J. Phys. Chem. B 2007, 111, 3073-3076
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 3073-3076
-
-
Spiwok, V.1
Lipovová, P.2
Králová, B.3
-
34
-
-
84859478167
-
-
Tribello, G. A.; Ceriotti, M.; Parrinello, M. Proc. Natl. Acad. Sci. U.S.A. 2012, 109, 5196-5201
-
(2012)
Proc. Natl. Acad. Sci. U.S.A.
, vol.109
, pp. 5196-5201
-
-
Tribello, G.A.1
Ceriotti, M.2
Parrinello, M.3
-
36
-
-
33746255471
-
-
Maragliano, L.; Fischer, A.; Vanden-Eijnden, E.; Ciccotti, G. J. Chem. Phys. 2006, 125, 024106
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 024106
-
-
Maragliano, L.1
Fischer, A.2
Vanden-Eijnden, E.3
Ciccotti, G.4
-
39
-
-
84882291890
-
-
Cao, L.; Lv, C.; Yang, W. J. Chem. Theory Comput. 2013, 9, 3756-3768
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 3756-3768
-
-
Cao, L.1
Lv, C.2
Yang, W.3
-
40
-
-
0022114079
-
-
Ansari, A.; Berendzen, J.; Bowne, S. F.; Frauenfelder, H.; Iben, I. E.; Sauke, T. B.; Shyamsunder, E.; Young, R. D. Proc. Natl. Acad. Sci. U.S.A. 1985, 82, 5000-5004
-
(1985)
Proc. Natl. Acad. Sci. U.S.A.
, vol.82
, pp. 5000-5004
-
-
Ansari, A.1
Berendzen, J.2
Bowne, S.F.3
Frauenfelder, H.4
Iben, I.E.5
Sauke, T.B.6
Shyamsunder, E.7
Young, R.D.8
-
46
-
-
0037076420
-
-
Jensen, M. Ø.; Park, S.; Tajkhorshid, E.; Schulten, K. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 6731-6736
-
(2002)
Proc. Natl. Acad. Sci. U.S.A.
, vol.99
, pp. 6731-6736
-
-
Jensen M.Ø1
Park, S.2
Tajkhorshid, E.3
Schulten, K.4
-
47
-
-
77957744536
-
-
Moradi, M.; Babin, V.; Roland, C.; Sagui, C. J. Chem. Phys. 2010, 133, 125104
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 125104
-
-
Moradi, M.1
Babin, V.2
Roland, C.3
Sagui, C.4
-
49
-
-
82555168249
-
-
Moradi, M.; Sagui, C.; Roland, C. Chem. Phys. Lett. 2011, 518, 109-113
-
(2011)
Chem. Phys. Lett.
, vol.518
, pp. 109-113
-
-
Moradi, M.1
Sagui, C.2
Roland, C.3
-
50
-
-
84904091764
-
-
Moradi, M.; Sagui, C.; Roland, C. J. Chem. Phys. 2014, 140, 034114
-
(2014)
J. Chem. Phys.
, vol.140
, pp. 034114
-
-
Moradi, M.1
Sagui, C.2
Roland, C.3
-
51
-
-
84904128764
-
-
Moradi, M.; Sagui, C.; Roland, C. J. Chem. Phys. 2014, 140, 034115
-
(2014)
J. Chem. Phys.
, vol.140
, pp. 034115
-
-
Moradi, M.1
Sagui, C.2
Roland, C.3
-
52
-
-
73949141579
-
-
Moradi, M.; Babin, V.; Roland, C.; Darden, T.; Sagui, C. Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 20746
-
(2009)
Proc. Natl. Acad. Sci. U.S.A.
, vol.106
, pp. 20746
-
-
Moradi, M.1
Babin, V.2
Roland, C.3
Darden, T.4
Sagui, C.5
-
53
-
-
84871800584
-
-
Moradi, M.; Babin, V.; Roland, C.; Sagui, C. Nucleic Acids Res. 2013, 41, 33-43
-
(2013)
Nucleic Acids Res.
, vol.41
, pp. 33-43
-
-
Moradi, M.1
Babin, V.2
Roland, C.3
Sagui, C.4
-
55
-
-
38849190409
-
-
Roberts and Co. Publishers: Greenwood Village, CO, Analysis of Biological Data Series.
-
Whitlock, M.; Schluter, D. The Analysis of Biological Data; Roberts and Co. Publishers: Greenwood Village, CO, 2009; Analysis of Biological Data Series.
-
(2009)
The Analysis of Biological Data
-
-
Whitlock, M.1
Schluter, D.2
-
57
-
-
77957948190
-
-
Farrell, D. W.; Speranskiy, K.; Thorpe, M. F. Proteins: Struct., Funct., Bioinf. 2010, 78, 2908-2921
-
(2010)
Proteins: Struct., Funct., Bioinf.
, vol.78
, pp. 2908-2921
-
-
Farrell, D.W.1
Speranskiy, K.2
Thorpe, M.F.3
-
58
-
-
84859922106
-
-
Vashisth, H.; Maragliano, L.; Abrams, C. F. Biophys. J. 2012, 102, 1979-1987
-
(2012)
Biophys. J.
, vol.102
, pp. 1979-1987
-
-
Vashisth, H.1
Maragliano, L.2
Abrams, C.F.3
-
61
-
-
84986519238
-
-
Kumar, S.; Bouzida, D.; Swendsen, R. H.; Kollman, P. A.; Rosenberg, J. M. J. Comput. Chem. 1992, 13, 1011-1021
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 1011-1021
-
-
Kumar, S.1
Bouzida, D.2
Swendsen, R.H.3
Kollman, P.A.4
Rosenberg, J.M.5
-
62
-
-
84863272836
-
-
Park, S.; Kim, T.; Im, W. Phys. Rev. Lett. 2013, 108, 108102-108105
-
(2013)
Phys. Rev. Lett.
, vol.108
, pp. 108102-108105
-
-
Park, S.1
Kim, T.2
Im, W.3
-
65
-
-
79951847345
-
-
Moradi, M.; Babin, V.; Sagui, C.; Roland, C. Biophys. J. 2011, 100, 1083-1093
-
(2011)
Biophys. J.
, vol.100
, pp. 1083-1093
-
-
Moradi, M.1
Babin, V.2
Sagui, C.3
Roland, C.4
-
66
-
-
79959918835
-
-
Moradi, M.; Babin, V.; Sagui, C.; Roland, C. J. Phys. Chem. B 2011, 115, 8645-8656
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 8645-8656
-
-
Moradi, M.1
Babin, V.2
Sagui, C.3
Roland, C.4
-
67
-
-
84861121209
-
-
Moradi, M.; Babin, V.; Sagui, C.; Roland, C. PLoS Comput. Biol. 2012, 8, e1002501
-
(2012)
PLoS Comput. Biol.
, vol.8
, pp. 1002501
-
-
Moradi, M.1
Babin, V.2
Sagui, C.3
Roland, C.4
-
68
-
-
84892604842
-
-
Bergonzo, C.; Henriksen, N. M.; Roe, D. R.; Swails, J. M.; Roitberg, A. E.; Cheatham, T. E. J. Chem. Theory Comput. 2014, 10, 492-499
-
(2014)
J. Chem. Theory Comput.
, vol.10
, pp. 492-499
-
-
Bergonzo, C.1
Henriksen, N.M.2
Roe, D.R.3
Swails, J.M.4
Roitberg, A.E.5
Cheatham, T.E.6
-
69
-
-
70449117689
-
-
Shenfeld, D. K.; Xu, H.; Eastwood, M. P.; Dror, R. O.; Shaw, D. E. Phys. Rev. E 2009, 80, 046705
-
(2009)
Phys. Rev. e
, vol.80
, pp. 046705
-
-
Shenfeld, D.K.1
Xu, H.2
Eastwood, M.P.3
Dror, R.O.4
Shaw, D.E.5
-
72
-
-
68049107296
-
-
Lingenheil, M.; Denschlag, R.; Mathias, G.; Tavan, P. Chem. Phys. Lett. 2009, 478, 80-84
-
(2009)
Chem. Phys. Lett.
, vol.478
, pp. 80-84
-
-
Lingenheil, M.1
Denschlag, R.2
Mathias, G.3
Tavan, P.4
-
73
-
-
33947398571
-
-
Chodera, J. D.; Swope, W. C.; Pitera, J. W.; Seok, C.; Dill, K. A. J. Chem. Theory Comput. 2007, 3, 26-41
-
(2007)
J. Chem. Theory Comput.
, vol.3
, pp. 26-41
-
-
Chodera, J.D.1
Swope, W.C.2
Pitera, J.W.3
Seok, C.4
Dill, K.A.5
-
78
-
-
84859951540
-
-
Tan, Z.; Gallicchio, E.; Lapelosa, M.; Levy, R. M. J. Chem. Phys. 2012, 136 144102
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 144102
-
-
Tan, Z.1
Gallicchio, E.2
Lapelosa, M.3
Levy, R.M.4
-
79
-
-
14344257496
-
K-means Clustering via Principal Component Analysis
-
Brodley, C. ACM: New York
-
Ding, C.; He, X. K-means Clustering via Principal Component Analysis. In Proceedings of the Twenty-first International Conference on Machine Learning (ICML-04), Banff, Canada, 2004; Brodley, C., Ed.; ACM: New York, 2004; pp 29-38.
-
(2004)
Proceedings of the Twenty-first International Conference on Machine Learning (ICML-04), Banff, Canada, 2004
, pp. 29-38
-
-
Ding, C.1
He, X.2
-
81
-
-
58149512801
-
-
Zheng, L.; Chen, M.; Yang, W. Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 20227-20232
-
(2008)
Proc. Natl. Acad. Sci. U.S.A.
, vol.105
, pp. 20227-20232
-
-
Zheng, L.1
Chen, M.2
Yang, W.3
-
82
-
-
67649114369
-
-
Zheng, L.; Chen, M.; Yang, W. J. Chem. Phys. 2009, 130, 234105-234114
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 234105-234114
-
-
Zheng, L.1
Chen, M.2
Yang, W.3
-
83
-
-
77955568818
-
-
Min, D.; Zheng, L.; Harris, W.; Chen, M.; Lv, C.; Yang, W. J. Chem. Theory Comput. 2010, 6, 2253-2266
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 2253-2266
-
-
Min, D.1
Zheng, L.2
Harris, W.3
Chen, M.4
Lv, C.5
Yang, W.6
-
85
-
-
44949249999
-
-
Davidson, A. L.; Dassa, E.; Orelle, C.; Chen, J. Microbiol. Mol. Biol. Rev. 2008, 72, 317-364
-
(2008)
Microbiol. Mol. Biol. Rev.
, vol.72
, pp. 317-364
-
-
Davidson, A.L.1
Dassa, E.2
Orelle, C.3
Chen, J.4
-
86
-
-
34548853133
-
-
Hollenstein, K.; Dawson, R. J.; Locher, K. P. Curr. Opin. Struct. Biol. 2007, 17, 412-418
-
(2007)
Curr. Opin. Struct. Biol.
, vol.17
, pp. 412-418
-
-
Hollenstein, K.1
Dawson, R.J.2
Locher, K.P.3
-
87
-
-
57049124822
-
-
Oldham, M. L.; Davidson, A. L.; Chen, J. Curr. Opin. Struct. Biol. 2008, 18, 726-733
-
(2008)
Curr. Opin. Struct. Biol.
, vol.18
, pp. 726-733
-
-
Oldham, M.L.1
Davidson, A.L.2
Chen, J.3
-
88
-
-
37649004412
-
-
Ward, A.; Reyes, C. L.; Yu, J.; Roth, C. B.; Chang, G. Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 19005-19010
-
(2007)
Proc. Natl. Acad. Sci. U.S.A.
, vol.104
, pp. 19005-19010
-
-
Ward, A.1
Reyes, C.L.2
Yu, J.3
Roth, C.B.4
Chang, G.5
-
90
-
-
0014029736
-
-
Jardetzky, O. Nature 1966, 211, 969-970
-
(1966)
Nature
, vol.211
, pp. 969-970
-
-
Jardetzky, O.1
-
91
-
-
63449139456
-
-
Aller, S. G.; Yu, J.; Ward, A.; Weng, Y.; Chittaboina, S.; Zhuo, R.; Harrell, P. M.; Trinh, Y. T.; Zhang, Q.; Urbatsch, I. L.; Chang, G. Science 2009, 323, 1718-1722
-
(2009)
Science
, vol.323
, pp. 1718-1722
-
-
Aller, S.G.1
Yu, J.2
Ward, A.3
Weng, Y.4
Chittaboina, S.5
Zhuo, R.6
Harrell, P.M.7
Trinh, Y.T.8
Zhang, Q.9
Urbatsch, I.L.10
Chang, G.11
-
92
-
-
84867883248
-
-
Jin, M. S.; Oldham, M. L.; Zhang, Q.; Chen, J. Nature 2012, 490, 566-569
-
(2012)
Nature
, vol.490
, pp. 566-569
-
-
Jin, M.S.1
Oldham, M.L.2
Zhang, Q.3
Chen, J.4
-
93
-
-
84882338908
-
-
Ward, A. B.; Szewczyk, P.; Grimard, V.; Lee, C.-W.; Martinez, L.; Doshi, R.; Caya, A.; Villaluz, M.; Pardon, E.; Cregger, C.; Swartz, D. J.; Falson, P. G.; Urbatsch, I. L.; Govaerts, C.; Steyaert, J.; Chang, G. Proc. Natl. Acad. Sci. U.S.A. 2013, 110, 13386-13391
-
(2013)
Proc. Natl. Acad. Sci. U.S.A.
, vol.110
, pp. 13386-13391
-
-
Ward, A.B.1
Szewczyk, P.2
Grimard, V.3
Lee, C.-W.4
Martinez, L.5
Doshi, R.6
Caya, A.7
Villaluz, M.8
Pardon, E.9
Cregger, C.10
Swartz, D.J.11
Falson, P.G.12
Urbatsch, I.L.13
Govaerts, C.14
Steyaert, J.15
Chang, G.16
-
94
-
-
17444362272
-
-
Ensing, B.; Laio, A.; Parrinello, M.; Klein, M. L. J. Phys. Chem. B 2005, 109, 6676-6687
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 6676-6687
-
-
Ensing, B.1
Laio, A.2
Parrinello, M.3
Klein, M.L.4
-
95
-
-
84862012971
-
-
Mittal, A.; Böhm, S.; Grütter, M. G.; Bordignon, E.; Seeger, M. A. J. Biol. Chem. 2012, 287, 20395-20406
-
(2012)
J. Biol. Chem.
, vol.287
, pp. 20395-20406
-
-
Mittal, A.1
Böhm, S.2
Grütter, M.G.3
Bordignon, E.4
Seeger, M.A.5
-
97
-
-
4243661501
-
-
Carter, E. A.; Ciccotti, G.; Hynes, J. T.; Kapral, R. Chem. Phys. Lett. 1989, 156, 472-477
-
(1989)
Chem. Phys. Lett.
, vol.156
, pp. 472-477
-
-
Carter, E.A.1
Ciccotti, G.2
Hynes, J.T.3
Kapral, R.4
-
100
-
-
0035789477
-
-
Schlitter, J.; Swegat, W.; Mülders, T. J. Mol. Mod. 2001, 7, 171-177
-
(2001)
J. Mol. Mod.
, vol.7
, pp. 171-177
-
-
Schlitter, J.1
Swegat, W.2
Mülders, T.3
-
101
-
-
8344246968
-
-
Coutsias, E. A.; Seok, C.; Dill, K. A. J. Chem. Phys. 2004, 25, 1849-1857
-
(2004)
J. Chem. Phys.
, vol.25
, pp. 1849-1857
-
-
Coutsias, E.A.1
Seok, C.2
Dill, K.A.3
-
103
-
-
84889585833
-
-
Fiorin, G.; Klein, M. L.; Hénin, J. Mol. Phys. 2013, 111, 3345-3362
-
(2013)
Mol. Phys.
, vol.111
, pp. 3345-3362
-
-
Fiorin, G.1
Klein, M.L.2
Hénin, J.3
-
110
-
-
78651282170
-
-
Hub, J. S.; de Groot, B. L.; van der Spoel, D. J. Chem. Theory Comput. 2010, 6, 3713-3720
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 3713
-
-
Hub, J.S.1
De Groot, B.L.2
Van Der Spoel, D.3
|