-
2
-
-
36549043024
-
-
Bahar, I.; Chennubhotla, C.; Tobi, D. Curr. Opin. Struct. Biol. 2007, 17, 633 10.1016/j.sbi.2007.09.011
-
(2007)
Curr. Opin. Struct. Biol.
, vol.17
, pp. 633
-
-
Bahar, I.1
Chennubhotla, C.2
Tobi, D.3
-
5
-
-
0347357617
-
-
Dobson, C. M. Nature 2003, 426, 884 10.1038/nature02261
-
(2003)
Nature
, vol.426
, pp. 884
-
-
Dobson, C.M.1
-
6
-
-
48249097986
-
-
Uversky, V. N.; Oldfield, C. J.; Dunker, A. K. Annu. Rev. Biophys. 2008, 37, 215 10.1146/annurev.biophys.37.032807.125924
-
(2008)
Annu. Rev. Biophys.
, vol.37
, pp. 215
-
-
Uversky, V.N.1
Oldfield, C.J.2
Dunker, A.K.3
-
10
-
-
0036424048
-
-
Bolhuis, P. G.; Chandler, D.; Dellago, C.; Geissler, P. L. Annu. Rev. Phys. Chem. 2002, 53, 291 10.1146/annurev.physchem.53.082301.113146
-
(2002)
Annu. Rev. Phys. Chem.
, vol.53
, pp. 291
-
-
Bolhuis, P.G.1
Chandler, D.2
Dellago, C.3
Geissler, P.L.4
-
11
-
-
0038515443
-
-
van Erp, T. S.; Moroni, D.; Bolhuis, P. G. J. Chem. Phys. 2003, 118, 7762 10.1063/1.1562614
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 7762
-
-
Van Erp, T.S.1
Moroni, D.2
Bolhuis, P.G.3
-
12
-
-
0036696910
-
-
Weinan, E.; Ren, W.; Vanden-Eijnden, E. Phys. Rev. B: Condens. Matter Mater. Phys. 2002, 66, 052301 10.1103/PhysRevB.66.052301
-
(2002)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.66
, pp. 052301
-
-
Weinan, E.1
Ren, W.2
Vanden-Eijnden, E.3
-
13
-
-
33746255471
-
-
Maragliano, L.; Fischer, A.; Vanden-Eijnden, E.; Ciccotti, G. J. Chem. Phys. 2006, 125, 024106 10.1063/1.2212942
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 024106
-
-
Maragliano, L.1
Fischer, A.2
Vanden-Eijnden, E.3
Ciccotti, G.4
-
14
-
-
0000573002
-
-
Schütte, C.; Fischer, A.; Huisinga, W.; Deuflhard, P. J. Comput. Phys. 1999, 151, 146 10.1006/jcph.1999.6231
-
(1999)
J. Comput. Phys.
, vol.151
, pp. 146
-
-
Schütte, C.1
Fischer, A.2
Huisinga, W.3
Deuflhard, P.4
-
15
-
-
2942567954
-
-
Swope, W. C.; Pitera, J. W.; Suits, F. J. Phys. Chem. B 2004, 108, 6571 10.1021/jp037421y
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 6571
-
-
Swope, W.C.1
Pitera, J.W.2
Suits, F.3
-
16
-
-
34247338100
-
-
Chodera, J. D.; Singhal, N.; Pande, V. S.; Dill, K. A.; Swope, W. C. J. Chem. Phys. 2007, 126, 155101 10.1063/1.2714538
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 155101
-
-
Chodera, J.D.1
Singhal, N.2
Pande, V.S.3
Dill, K.A.4
Swope, W.C.5
-
17
-
-
34247339716
-
-
Noé, F.; Horenko, I.; Schütte, C.; Smith, J. C. J. Chem. Phys. 2007, 126, 155102 10.1063/1.2714539
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 155102
-
-
Noé, F.1
Horenko, I.2
Schütte, C.3
Smith, J.C.4
-
19
-
-
79957488000
-
-
Prinz, J.-H.; Wu, H.; Sarich, M.; Keller, B.; Senne, M.; Held, M.; Chodera, J. D.; Schütte, C.; Noé, F. J. Chem. Phys. 2011, 134, 174105 10.1063/1.3565032
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 174105
-
-
Prinz, J.-H.1
Wu, H.2
Sarich, M.3
Keller, B.4
Senne, M.5
Held, M.6
Chodera, J.D.7
Schütte, C.8
Noé, F.9
-
21
-
-
84907051441
-
-
Schwantes, C. R.; McGibbon, R. T.; Pande, V. S. J. Chem. Phys. 2014, 141, 090901 10.1063/1.4895044
-
(2014)
J. Chem. Phys.
, vol.141
, pp. 090901
-
-
Schwantes, C.R.1
McGibbon, R.T.2
Pande, V.S.3
-
23
-
-
33748366393
-
-
Metzner, P.; Schütte, C.; Vanden-Eijnden, E. J. Chem. Phys. 2006, 125, 084110 10.1063/1.2335447
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 084110
-
-
Metzner, P.1
Schütte, C.2
Vanden-Eijnden, E.3
-
24
-
-
70450255797
-
-
Noé, F.; Schütte, C.; Vanden-Eijnden, E.; Reich, L.; Weikl, T. R. Proc. Natl. Acad. Sci. U. S. A. 2009, 106, 19011 10.1073/pnas.0905466106
-
(2009)
Proc. Natl. Acad. Sci. U. S. A.
, vol.106
, pp. 19011
-
-
Noé, F.1
Schütte, C.2
Vanden-Eijnden, E.3
Reich, L.4
Weikl, T.R.5
-
26
-
-
77149131242
-
-
Keller, B.; Daura, X.; van Gunsteren, W. F. J. Chem. Phys. 2010, 132, 074110 10.1063/1.3301140
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 074110
-
-
Keller, B.1
Daura, X.2
Van Gunsteren, W.F.3
-
27
-
-
84886081379
-
-
Pérez-Hernández, G.; Paul, F.; Giorgino, T.; De Fabritiis, G.; Noé, F. J. Chem. Phys. 2013, 139, 015102 10.1063/1.4811489
-
(2013)
J. Chem. Phys.
, vol.139
, pp. 015102
-
-
Pérez-Hernández, G.1
Paul, F.2
Giorgino, T.3
De Fabritiis, G.4
Noé, F.5
-
28
-
-
84898431921
-
-
Nüske, F.; Keller, B. G.; Pérez-Hernández, G.; Mey, A. S. J. S.; Noé, F. J. Chem. Theory Comput. 2014, 10, 1739 10.1021/ct4009156
-
(2014)
J. Chem. Theory Comput.
, vol.10
, pp. 1739
-
-
Nüske, F.1
Keller, B.G.2
Pérez-Hernández, G.3
Mey, A.S.J.S.4
Noé, F.5
-
29
-
-
79953167530
-
-
Noé, F.; Doose, S.; Daidone, I.; Löllmann, M.; Sauer, M.; Chodera, J. D.; Smith, J. C. Proc. Natl. Acad. Sci. U. S. A. 2011, 108, 4822 10.1073/pnas.1004646108
-
(2011)
Proc. Natl. Acad. Sci. U. S. A.
, vol.108
, pp. 4822
-
-
Noé, F.1
Doose, S.2
Daidone, I.3
Löllmann, M.4
Sauer, M.5
Chodera, J.D.6
Smith, J.C.7
-
30
-
-
79958212540
-
-
Zhuang, W.; Cui, R. Z.; Silva, D.-A.; Huang, X. J. Phys. Chem. B 2011, 115, 5415 10.1021/jp109592b
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 5415
-
-
Zhuang, W.1
Cui, R.Z.2
Silva, D.-A.3
Huang, X.4
-
31
-
-
84859527217
-
-
Keller, B. G.; Prinz, J.-H.; Noé, F. Chem. Phys. 2012, 396, 92 10.1016/j.chemphys.2011.08.021
-
(2012)
Chem. Phys.
, vol.396
, pp. 92
-
-
Keller, B.G.1
Prinz, J.-H.2
Noé, F.3
-
32
-
-
77956841151
-
-
Sarich, M.; Noé, F.; Schütte, C. Multiscale Model. Simul. 2010, 8, 1154 10.1137/090764049
-
(2010)
Multiscale Model. Simul.
, vol.8
, pp. 1154
-
-
Sarich, M.1
Noé, F.2
Schütte, C.3
-
34
-
-
79954544097
-
-
Keller, B.; Hünenberger, P.; van Gunsteren, W. F. J. Chem. Theory Comput. 2011, 7, 1032 10.1021/ct200069c
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 1032
-
-
Keller, B.1
Hünenberger, P.2
Van Gunsteren, W.F.3
-
37
-
-
19644394100
-
-
Coifman, R. R.; Lafon, S.; Lee, A. B.; Maggioni, M.; Nadler, B.; Warner, F.; Zucker, S. W. Proc. Natl. Acad. Sci. U. S. A. 2005, 102, 7426 10.1073/pnas.0500334102
-
(2005)
Proc. Natl. Acad. Sci. U. S. A.
, vol.102
, pp. 7426
-
-
Coifman, R.R.1
Lafon, S.2
Lee, A.B.3
Maggioni, M.4
Nadler, B.5
Warner, F.6
Zucker, S.W.7
-
38
-
-
79953320021
-
-
Rohrdanz, M. A.; Zheng, W.; Maggioni, M.; Clementi, C. J. Chem. Phys. 2011, 134, 124116 10.1063/1.3569857
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 124116
-
-
Rohrdanz, M.A.1
Zheng, W.2
Maggioni, M.3
Clementi, C.4
-
41
-
-
0034370539
-
-
Deuflhard, P.; Huisinga, W.; Fischer, A.; Schütte, C. Linear Algebra Appl. 2000, 315, 39 10.1016/S0024-3795(00)00095-1
-
(2000)
Linear Algebra Appl.
, vol.315
, pp. 39
-
-
Deuflhard, P.1
Huisinga, W.2
Fischer, A.3
Schütte, C.4
-
42
-
-
77950159292
-
-
Bowman, G. R.; Ensign, D. L.; Pande, V. S. J. Chem. Theory Comput. 2010, 6, 787 10.1021/ct900620b
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 787
-
-
Bowman, G.R.1
Ensign, D.L.2
Pande, V.S.3
-
43
-
-
84921367680
-
-
Sheong, F. K.; Silva, D.-A.; Meng, L.; Zhao, Y.; Huang, X. J. Chem. Theory Comput. 2015, 11, 17 10.1021/ct5007168
-
(2015)
J. Chem. Theory Comput.
, vol.11
, pp. 17
-
-
Sheong, F.K.1
Silva, D.-A.2
Meng, L.3
Zhao, Y.4
Huang, X.5
-
46
-
-
84893181396
-
-
Sarich, M.; Banisch, R.; Hartmann, C.; Schütte, C. Entropy 2013, 16, 258 10.3390/e16010258
-
(2013)
Entropy
, vol.16
, pp. 258
-
-
Sarich, M.1
Banisch, R.2
Hartmann, C.3
Schütte, C.4
-
48
-
-
84903302956
-
-
Eds. Springer: Dordrecht, The Netherlands
-
An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation; Bowman, G. R.; Pande, V. S.; Noé, F., Eds.; Springer: Dordrecht, The Netherlands, 2014; Vol. 797.
-
(2014)
An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation
, vol.797
-
-
Bowman, G.R.1
Pande, V.S.2
Noé, F.3
-
50
-
-
84923899716
-
-
Vitalini, F.; Mey, A. S. J. S.; Noé, F.; Keller, B. G. J. Chem. Phys. 2015, 142, 084101 10.1063/1.4909549
-
(2015)
J. Chem. Phys.
, vol.142
, pp. 084101
-
-
Vitalini, F.1
Mey, A.S.J.S.2
Noé, F.3
Keller, B.G.4
-
51
-
-
0037441653
-
-
Lovell, S. C.; Davis, I. W.; Arendall, W. B.; de Bakker, P. I. W.; Word, J. M.; Prisant, M. G.; Richardson, J. S.; Richardson, D. C. Proteins: Struct., Funct., Genet. 2003, 50, 437 10.1002/prot.10286
-
(2003)
Proteins: Struct., Funct., Genet.
, vol.50
, pp. 437
-
-
Lovell, S.C.1
Davis, I.W.2
Arendall, W.B.3
De Bakker, P.I.W.4
Word, J.M.5
Prisant, M.G.6
Richardson, J.S.7
Richardson, D.C.8
-
52
-
-
77953513118
-
-
Lindorff-Larsen, K.; Piana, S.; Palmo, K.; Maragakis, P.; Klepeis, J. L.; Dror, R. O.; Shaw, D. E. Proteins: Struct., Funct., Genet. 2010, 78, 1950 10.1002/prot.22711
-
(2010)
Proteins: Struct., Funct., Genet.
, vol.78
, pp. 1950
-
-
Lindorff-Larsen, K.1
Piana, S.2
Palmo, K.3
Maragakis, P.4
Klepeis, J.L.5
Dror, R.O.6
Shaw, D.E.7
-
53
-
-
0242663237
-
-
Duan, Y.; Wu, C.; Chowdhury, S.; Lee, M. C.; Xiong, G.; Zhang, W. E. I.; Yang, R.; Cieplak, P.; Luo, R. A. Y.; Lee, T.; Caldwell, J.; Wang, J.; Kollman, P. J. Comput. Chem. 2003, 24, 1999 10.1002/jcc.10349
-
(2003)
J. Comput. Chem.
, vol.24
, pp. 1999
-
-
Duan, Y.1
Wu, C.2
Chowdhury, S.3
Lee, M.C.4
Xiong, G.5
Zhang, W.E.I.6
Yang, R.7
Cieplak, P.8
Luo, R.A.Y.9
Lee, T.10
Caldwell, J.11
Wang, J.12
Kollman, P.13
-
54
-
-
0035913529
-
-
Kaminski, G. A.; Friesner, R. A.; Tirado-Rives, J.; Jorgensen, W. L. J. Phys. Chem. B 2001, 105, 6474 10.1021/jp003919d
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 6474
-
-
Kaminski, G.A.1
Friesner, R.A.2
Tirado-Rives, J.3
Jorgensen, W.L.4
-
55
-
-
0242593434
-
-
MacKerell, a. D.; Banavali, N.; Foloppe, N. Biopolymers 2000, 56, 257 10.1002/1097-0282(2000)56:4<257::AID-BIP10029>3.0.CO;2-W
-
(2000)
Biopolymers
, vol.56
, pp. 257
-
-
MacKerell, A.D.1
Banavali, N.2
Foloppe, N.3
-
56
-
-
0001751804
-
-
Daura, X.; Mark, A. E.; Van Gunsteren, W. F. J. Comput. Chem. 1998, 19, 535 10.1002/(SICI)1096-987X(19980415)19:5<535::AID-JCC6>3.0.CO;2-N
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 535
-
-
Daura, X.1
Mark, A.E.2
Van Gunsteren, W.F.3
-
57
-
-
0008819754
-
-
Scott, W. R. P.; Hunenberger, P. H.; Tironi, I. G.; Mark, A. E.; Billeter, S. R.; Fennen, J.; Torda, A. E.; Huber, T.; Kruger, P.; van Gunsteren, W. F. J. Phys. Chem. A 1999, 103, 3596 10.1021/jp984217f
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 3596
-
-
Scott, W.R.P.1
Hunenberger, P.H.2
Tironi, I.G.3
Mark, A.E.4
Billeter, S.R.5
Fennen, J.6
Torda, A.E.7
Huber, T.8
Kruger, P.9
Van Gunsteren, W.F.10
-
58
-
-
84941110879
-
-
The basis set library and variational package are available at
-
Vitalini, F.; Nüske, F.; Noé, F. The basis set library and variational package are available at github.com/markovmodel/variational.
-
-
-
Vitalini, F.1
Nüske, F.2
Noé, F.3
-
59
-
-
27344454932
-
-
Van der Spoel, D.; Lindahl, E.; Hess, B.; Groenhof, G.; Mark, A. E.; Berendsen, H. J. C. J. Comput. Chem. 2005, 26, 1701 10.1002/jcc.20291
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 1701
-
-
Van Der Spoel, D.1
Lindahl, E.2
Hess, B.3
Groenhof, G.4
Mark, A.E.5
Berendsen, H.J.C.6
-
60
-
-
0004016501
-
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. J. Chem. Phys. 1983, 79, 926 10.1063/1.445869
-
(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
-
61
-
-
84863672816
-
-
Senne, M.; Trendelkamp-Schroer, B.; Mey, A. S. J. S.; Schütte, C.; Noé, F. J. Chem. Theory Comput. 2012, 8, 2223 10.1021/ct300274u
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 2223
-
-
Senne, M.1
Trendelkamp-Schroer, B.2
Mey, A.S.J.S.3
Schütte, C.4
Noé, F.5
-
64
-
-
79958151345
-
-
Schütte, C.; Noé, F.; Lu, J.; Sarich, M.; Vanden-Eijnden, E. J. Chem. Phys. 2011, 134, 204105 10.1063/1.3590108
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 204105
-
-
Schütte, C.1
Noé, F.2
Lu, J.3
Sarich, M.4
Vanden-Eijnden, E.5
|