-
1
-
-
34548494273
-
-
(Springer-Verlag, Berlin), Vol
-
C. Dellago and P. G. Bolhuis, Atomistic Approaches in Modern Biology, From Quantum Chemistry to Molecular Simulations (Springer-Verlag, Berlin, 2007), Vol. 268, pp. 291-317.
-
(2007)
Atomistic Approaches in Modern Biology, from Quantum Chemistry to Molecular Simulations
, vol.268
, pp. 291-317
-
-
Dellago, C.1
Bolhuis, P.G.2
-
2
-
-
70349598928
-
-
(Springer, New York), Vol
-
C. Dellago and P. G. Bolhuis, Advanced Computer Simulation Approaches for Soft Matter Sciences III, Advances in Polymer Science (Springer, New York, 2009), Vol. 221, pp. 167-233.
-
(2009)
Advanced Computer Simulation Approaches for Soft Matter Sciences III, Advances in Polymer Science
, vol.221
, pp. 167-233
-
-
Dellago, C.1
Bolhuis, P.G.2
-
3
-
-
70349291211
-
-
0953-8984, 10.1088/0953-8984/21/33/333101
-
F. Escobedo, E. Borrero, and J. Araque, J. Phys.: Condens. Matter 0953-8984 21, 333101 (2009). 10.1088/0953-8984/21/33/333101
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 333101
-
-
Escobedo, F.1
Borrero, E.2
Araque, J.3
-
4
-
-
17544365232
-
Finite temperature string method for the study of rare events
-
DOI 10.1021/jp0455430
-
W. E, W. Ren, and E. Vanden-Eijnden, J. Phys. Chem. B 1089-5647 109, 6688 (2005). 10.1021/jp0455430 (Pubitemid 40552536)
-
(2005)
Journal of Physical Chemistry B
, vol.109
, Issue.14
, pp. 6688-6693
-
-
Weinan, E.1
Ren, W.2
Vanden-Eijnden, E.3
-
5
-
-
3042545299
-
-
0021-9606, 10.1063/1.1738640
-
A. K. Faradjian and R. Elber, J. Chem. Phys. 0021-9606 120, 10880 (2004). 10.1063/1.1738640
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 10880
-
-
Faradjian, A.K.1
Elber, R.2
-
6
-
-
18144425774
-
Sampling rare switching events in biochemical networks
-
DOI 10.1103/PhysRevLett.94.018104, 018104
-
R. J. Allen, P. B. Warren, and P. R. ten Wolde, Phys. Rev. Lett. 0031-9007 94, 018104 (2005). 10.1103/PhysRevLett.94.018104 (Pubitemid 40620266)
-
(2005)
Physical Review Letters
, vol.94
, Issue.1
, pp. 1-4
-
-
Allen, R.J.1
Warren, P.B.2
Ten Wolde, P.R.3
-
7
-
-
30744470375
-
Simulating rare events in equilibrium or nonequilibrium stochastic systems
-
DOI 10.1063/1.2140273, 024102
-
R. J. Allen, D. Frenkel, and P. R. ten Wolde, J. Chem. Phys. 0021-9606 124, 024102 (2006). 10.1063/1.2140273 (Pubitemid 43100174)
-
(2006)
Journal of Chemical Physics
, vol.124
, Issue.2
, pp. 1-16
-
-
Allen, R.J.1
Frenkel, D.2
Ten Wolde, P.R.3
-
8
-
-
0036424048
-
Transition path sampling: Throwing ropes over rough mountain passes, in the dark
-
DOI 10.1146/annurev.physchem.53.082301.113146
-
P. G. Bolhuis, D. Chandler, and C. Dellago, Annu. Rev. Phys. Chem. 0066-426X 53, 291 (2002). 10.1146/annurev.physchem.53.082301.113146 (Pubitemid 35336255)
-
(2002)
Annual Review of Physical Chemistry
, vol.53
-
-
Bolhuis, P.G.1
Chandler, D.2
Dellago, C.3
Geissler, P.L.4
-
9
-
-
0000729781
-
-
0021-9606, 10.1063/1.475562
-
C. Dellago, P. G. Bolhuis, F. S. Csajka, and D. Chandler, J. Chem. Phys. 0021-9606 108, 1964 (1998). 10.1063/1.475562
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 1964
-
-
Dellago, C.1
Bolhuis, P.G.2
Csajka, F.S.3
Chandler, D.4
-
10
-
-
66749099419
-
-
0065-2385, 10.1002/0471231509.ch1
-
C. Dellago, P. Bolhuis, and P. Geissler, Adv. Chem. Phys. 0065-2385 123, 1 (2002). 10.1002/0471231509.ch1
-
(2002)
Adv. Chem. Phys.
, vol.123
, pp. 1
-
-
Dellago, C.1
Bolhuis, P.2
Geissler, P.3
-
12
-
-
0038515443
-
-
0021-9606, 10.1063/1.1562614
-
T. S. van Erp, D. Moroni, and P. G. Bolhuis, J. Chem. Phys. 0021-9606 118, 7762 (2003). 10.1063/1.1562614
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 7762
-
-
Van Erp, T.S.1
Moroni, D.2
Bolhuis, P.G.3
-
13
-
-
3042734977
-
-
0378-4371, 10.1016/j.physa.2004.04.033
-
D. Moroni, T. S. van Erp, and P. G. Bolhuis, Physica A 0378-4371 340, 395 (2004). 10.1016/j.physa.2004.04.033
-
(2004)
Physica A
, vol.340
, pp. 395
-
-
Moroni, D.1
Van Erp, T.S.2
Bolhuis, P.G.3
-
14
-
-
33748374124
-
-
0021-9606, 10.1063/1.436049
-
D. Chandler, J. Chem. Phys. 0021-9606 68, 2959 (1978). 10.1063/1.436049
-
(1978)
J. Chem. Phys.
, vol.68
, pp. 2959
-
-
Chandler, D.1
-
15
-
-
0003039369
-
-
(American Chemical Society, Washington, D.C.), Vol
-
C. Bennett, The Simulation of Infrequent Events (American Chemical Society, Washington, D.C., 1977), Vol. 46, pp. 63-97.
-
(1977)
The Simulation of Infrequent Events
, vol.46
, pp. 63-97
-
-
Bennett, C.1
-
16
-
-
36048956703
-
Reaction coordinates and transition pathways of rare events via forward flux sampling
-
DOI 10.1063/1.2776270
-
E. E. Borrero and F. A. Escobedo, J. Chem. Phys. 0021-9606 127, 164101 (2007). 10.1063/1.2776270 (Pubitemid 350094822)
-
(2007)
Journal of Chemical Physics
, vol.127
, Issue.16
, pp. 164101
-
-
Borrero, E.E.1
Escobedo, F.A.2
-
18
-
-
0000801009
-
-
0021-9606, 10.1063/1.476378
-
C. Dellago, P. G. Bolhuis, and D. Chandler, J. Chem. Phys. 0021-9606 108, 9236 (1998). 10.1063/1.476378
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 9236
-
-
Dellago, C.1
Bolhuis, P.G.2
Chandler, D.3
-
19
-
-
2742515916
-
-
0301-7249, 10.1039/a801266k
-
P. Bolhuis, C. Dellago, and D. Chandler, Faraday Discuss. 0301-7249 110, 421 (1998). 10.1039/a801266k
-
(1998)
Faraday Discuss.
, vol.110
, pp. 421
-
-
Bolhuis, P.1
Dellago, C.2
Chandler, D.3
-
20
-
-
11144299595
-
Activation energies from transition path sampling simulations
-
DOI 10.1080/08927020412331294869
-
C. Dellago and P. G. Bolhuis, Mol. Simul. 0892-7022 30, 795 (2004). 10.1080/08927020412331294869 (Pubitemid 40026281)
-
(2004)
Molecular Simulation
, vol.30
, Issue.11-12
, pp. 795-799
-
-
Dellago, C.1
Bolhuis, P.G.2
-
21
-
-
33646471468
-
-
0021-9606, 10.1063/1.1749657
-
J. G. Kirkwood, J. Chem. Phys. 0021-9606 3, 300 (1935). 10.1063/1.1749657
-
(1935)
J. Chem. Phys.
, vol.3
, pp. 300
-
-
Kirkwood, J.G.1
-
22
-
-
33749016486
-
Bias annealing: A method for obtaining transition paths de novo
-
DOI 10.1063/1.2335640
-
J. Hu, A. Ma, and A. R. Dinner, J. Chem. Phys. 0021-9606 125, 114101 (2006). 10.1063/1.2335640 (Pubitemid 44450412)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.11
, pp. 114101
-
-
Hu, J.1
Ma, A.2
Dinner, A.R.3
-
23
-
-
4243613377
-
-
0031-9007, 10.1103/PhysRevLett.68.9
-
B. A. Berg and T. Neuhaus, Phys. Rev. Lett. 0031-9007 68, 9 (1992). 10.1103/PhysRevLett.68.9
-
(1992)
Phys. Rev. Lett.
, vol.68
, pp. 9
-
-
Berg, B.A.1
Neuhaus, T.2
-
24
-
-
0001399419
-
-
0021-9606, 10.1063/1.480282
-
Q. Yan and J. J. de Pablo, J. Chem. Phys. 0021-9606 111, 9509 (1999). 10.1063/1.480282
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 9509
-
-
Yan, Q.1
De Pablo, J.J.2
-
25
-
-
32044443418
-
A general framework for non-Boltzmann Monte Carlo sampling
-
DOI 10.1063/1.2165188, 054116
-
C. R. A. Abreu and F. A. Escobedo, J. Chem. Phys. 0021-9606 124, 054116 (2006). 10.1063/1.2165188 (Pubitemid 43202678)
-
(2006)
Journal of Chemical Physics
, vol.124
, Issue.5
, pp. 1-12
-
-
Abreu, C.R.A.1
Escobedo, F.A.2
-
26
-
-
16244401083
-
On the efficient sampling of pathways in the transition path ensemble
-
DOI 10.1039/b009865p, 2
-
T. J. H. Vlugt and B. Smit, PhysChemComm 1460-2733 4, 11 (2001). 10.1039/b009865p (Pubitemid 40464594)
-
(2001)
PhysChemComm
, vol.4
, pp. 1-7
-
-
Vlugt, T.J.H.1
Smit, B.2
-
27
-
-
52349098579
-
-
0021-9606, 10.1063/1.2976011
-
P. G. Bolhuis, J. Chem. Phys. 0021-9606 129, 114108 (2008). 10.1063/1.2976011
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 114108
-
-
Bolhuis, P.G.1
-
28
-
-
42149099880
-
Improved transition path sampling methods for simulation of rare events
-
DOI 10.1063/1.2889943
-
M. Chopra, R. Malshe, A. S. Reddy, and J. J. de Pablo, J. Chem. Phys. 0021-9606 128, 144104 (2008). 10.1063/1.2889943 (Pubitemid 351537141)
-
(2008)
Journal of Chemical Physics
, vol.128
, Issue.14
, pp. 144104
-
-
Chopra, M.1
Malshe, R.2
Reddy, A.S.3
De Pablo, J.J.4
-
29
-
-
6644221271
-
Efficient, multiple-range random walk algorithm to calculate the density of states
-
DOI 10.1103/PhysRevLett.86.2050
-
F. Wang and D. P. Landau, Phys. Rev. Lett. 0031-9007 86, 2050 (2001). 10.1103/PhysRevLett.86.2050 (Pubitemid 32254758)
-
(2001)
Physical Review Letters
, vol.86
, Issue.10
, pp. 2050-2053
-
-
Wang, F.1
Landau, D.P.2
-
30
-
-
72049092709
-
-
0021-9606, 10.1063/1.3253700
-
M. Grünwald and C. Dellago, J. Chem. Phys. 0021-9606 131, 164116 (2009). 10.1063/1.3253700
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 164116
-
-
Grünwald, M.1
Dellago, C.2
-
31
-
-
66449095903
-
-
1530-6984, 10.1021/nl900609d
-
M. Grünwald and C. Dellago, Nano Lett. 1530-6984 9, 2099 (2009). 10.1021/nl900609d
-
(2009)
Nano Lett.
, vol.9
, pp. 2099
-
-
Grünwald, M.1
Dellago, C.2
-
36
-
-
36849103820
-
-
0021-9606, 10.1063/1.1674820
-
J. D. Weeks, D. Chandler, and H. C. Andersen, J. Chem. Phys. 0021-9606 54, 5237 (1971). 10.1063/1.1674820
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 5237
-
-
Weeks, J.D.1
Chandler, D.2
Andersen, H.C.3
-
37
-
-
27944434325
-
Wang-Landau sampling with self-adaptive range
-
DOI 10.1103/PhysRevE.71.066705, 066705
-
A. Tröster and C. Dellago, Phys. Rev. E 1063-651X 71, 066705 (2005). 10.1103/PhysRevE.71.066705 (Pubitemid 41663910)
-
(2005)
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
, vol.71
, Issue.6
, pp. 7
-
-
Troster, A.1
Dellago, C.2
-
38
-
-
56149094958
-
-
1063-651X, 10.1103/PhysRevE.78.055701
-
A. G. Cunha-Netto, A. A. Caparica, S. -H. Tsai, R. Dickman, and D. P. Landau, Phys. Rev. E 1063-651X 78, 055701 (2008). 10.1103/PhysRevE.78.055701
-
(2008)
Phys. Rev. e
, vol.78
, pp. 055701
-
-
Cunha-Netto, A.G.1
Caparica, A.A.2
Tsai, S.-H.3
Dickman, R.4
Landau, D.P.5
-
39
-
-
4444242987
-
-
0021-9606, 10.1063/1.478569
-
C. Dellago, P. Bolhuis, and D. Chandler, J. Chem. Phys. 0021-9606 110, 6617 (1999). 10.1063/1.478569
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 6617
-
-
Dellago, C.1
Bolhuis, P.2
Chandler, D.3
-
41
-
-
57649225618
-
-
0021-9606, 10.1063/1.3029696
-
J. Rogal and P. G. Bolhuis, J. Chem. Phys. 0021-9606 129, 224107 (2008). 10.1063/1.3029696
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 224107
-
-
Rogal, J.1
Bolhuis, P.G.2
-
42
-
-
56849114069
-
-
0021-9606, 10.1063/1.2978000
-
M. Grünwald, C. Dellago, and P. L. Geissler, J. Chem. Phys. 0021-9606 129, 194101 (2008). 10.1063/1.2978000
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 194101
-
-
Grünwald, M.1
Dellago, C.2
Geissler, P.L.3
-
43
-
-
0037439656
-
-
0953-8984, 10.1088/0953-8984/15/1/314
-
P. G. Bolhuis, J. Phys.: Condens. Matter 0953-8984 15, S113 (2003). 10.1088/0953-8984/15/1/314
-
(2003)
J. Phys.: Condens. Matter
, vol.15
, pp. 113
-
-
Bolhuis, P.G.1
|