-
8
-
-
0002230737
-
Introduction to monte carlo simulations
-
M. Baus, L. F. Rull, and J.- P. Ryckaert, Eds. Kluwer Academic Publishers, Boston
-
M. P. Allen, Introduction to Monte Carlo simulations. In Observation, Prediction and Simulation of Phase Transitions in Complex Fluids, M. Baus, L. F. Rull, and J.- P. Ryckaert, Eds., Kluwer Academic Publishers, Boston, 1995, 339-356.
-
(1995)
Observation, Prediction and Simulation of Phase Transitions in Complex Fluids
, pp. 339-356
-
-
Allen, M.P.1
-
9
-
-
0000286108
-
Monte carlo simulations for liquids
-
P. V Rague Śchleyer, Ed. Wiley, New York
-
W. L. Jorgensen, Monte Carlo simulations for liquids. In Encyclopedia of Computational Chemistry, P. V Rague Śchleyer, Ed., Wiley, New York, 1998, 1754-1763.
-
(1998)
Encyclopedia of Computational Chemistry
, pp. 1754-1763
-
-
Jorgensen, W.L.1
-
10
-
-
33748875167
-
Monte carlo vsmolecular dynamics for conformational sampling
-
W. L. Jorgensen and J. Tirado-Rives, Monte Carlo vsmolecular dynamics for conformational sampling. J. Phys. Chem., 100, 1996, 14508-14513.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 14508-14513
-
-
Jorgensen, W.L.1
Tirado-Rives, J.2
-
11
-
-
0005733781
-
-
D. Liotta,JAI Press, Greenwich, CN
-
F. M. Menger, In Advances in Molecular Modeling, D. Liotta, Ed., JAI Press, Greenwich, CN, 1988, 189-213.
-
(1988)
Advances in Molecular Modeling
, pp. 189-213
-
-
Menger, F.M.1
-
12
-
-
0004140038
-
Cellular automata
-
S. Wolfram, Cellular automata. Los Alamos Sci. 1983, 9, 2-21.
-
(1983)
Los Alamos Sci.
, vol.9
, pp. 2-21
-
-
Wolfram, S.1
-
13
-
-
0001371294
-
Random processes and transformations
-
held in 1950
-
S. M. Ulam, Random processes and transformations. Proc. Int. Congr. Math. 1952 (held in 1950), 2, 264.
-
(1952)
Proc. Int. Congr. Math.
, vol.2
, pp. 264
-
-
Ulam, S.M.1
-
16
-
-
51249183293
-
The computing universe
-
K. Zuse, The computing universe. Int. J. Theor. Phys. 1982, 21, 589.
-
(1982)
Int. J. Theor. Phys.
, vol.21
, pp. 589
-
-
Zuse, K.1
-
18
-
-
0003932737
-
-
W. H. Freeman, New York
-
M. Schroeder, Fractals, Chaos, Power Laws. W. H. Freeman, New York, 1991, p. 371.
-
(1991)
Fractals, Chaos, Power Laws
, pp. 371
-
-
Schroeder, M.1
-
19
-
-
0039477360
-
Complex computingwith cellular automata
-
P. Manneville, N. Boccara, G. Y. Vishniac, and R. Bidaux, eds. Springer-Verlag, New York
-
J. Signorini, Complex computingwith cellular automata. In Cellular Automata andModeling of Complex Physical Systems, P. Manneville, N. Boccara, G. Y. Vishniac, and R. Bidaux, eds. Springer-Verlag, New York, 1990, 57-70.
-
(1990)
Cellular Automata AndModeling of Complex Physical Systems
, pp. 57-70
-
-
Signorini, J.1
-
20
-
-
0020496569
-
Simulating physics with cellular automata
-
G. Y. Vichniac, Simulating physics with cellular automata. Physica D. 1984, 10, 96-116.
-
(1984)
Physica D.
, vol.10
, pp. 96-116
-
-
Vichniac, G.Y.1
-
21
-
-
0020495097
-
Cellular automata as an alternative to (rather than an approximation of) differential equations in modeling physics
-
T. Toffoli, Cellular automata as an alternative to (rather than an approximation of) differential equations in modeling physics. Physica D. 1984, 10, 117-127.
-
(1984)
Physica D
, vol.10
, pp. 117-127
-
-
Toffoli, T.1
-
23
-
-
10644253941
-
A new kind of science
-
Champaign, IL
-
S. Wolfram, A New Kind of Science. Wolfram Media, Champaign, IL, 2002.
-
(2002)
Wolfram Media
-
-
Wolfram, S.1
-
24
-
-
0020495096
-
Emergent properties in random complex automata
-
S. Kauffman, Emergent properties in random complex Automata. Physica D. 1984, 10, 145-156.
-
(1984)
Physica D.
, vol.10
, pp. 145-156
-
-
Kauffman, S.1
-
25
-
-
0029905847
-
Cellular automata model of micelle formation
-
L. B. Kier, C.-K. Cheng, and B. Testa, A cellular automata model of micelle formation. Pharm. Res. 1996, 13, 1419-1422.
-
(1996)
Pharm. Res.
, vol.13
, pp. 1419-1422
-
-
Kier, L.B.1
Cheng, C.-K.2
Testa, B.A.3
-
26
-
-
0029408784
-
A cellular automata model of oil-water partitioning
-
C.-K. Cheng and L. B. Kier, A cellular automata model of oil-water partitioning. J. Chem. Inf. Comput. Sci. 1995, 35, 1054-1059.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 1054-1059
-
-
Cheng, C.-K.1
Kier, L.B.2
-
27
-
-
0034533030
-
A cellular automata model of chromatography
-
L. B. Kier, C.-K. Cheng, and H. T. Karnes, A cellular automata model of chromatography. Biomed. Chromatogr. 2000, 14, 530-534.
-
(2000)
Biomed. Chromatogr
, vol.14
, pp. 530-534
-
-
Kier, L.B.1
Cheng, C.-K.2
Karnes, H.T.3
-
29
-
-
0035765458
-
Cellular automata models of aqueous solution systems
-
K. B. Lipkowitz and D. B. Boyd, eds. Wiley-VCH, New York
-
L. B. Kier, C.-K. Cheng, and P. G. Seybold, Cellular automata models of aqueous solution systems. In Reviews in Computational Chemistry, vol. 17, K. B. Lipkowitz and D. B. Boyd, eds. Wiley-VCH, New York, 2001, 205-254.
-
(2001)
Reviews in Computational Chemistry
, vol.17
, pp. 205-254
-
-
Kier, L.B.1
Cheng, C.-K.2
Seybold, P.G.3
-
30
-
-
0031094474
-
Simulation of first-order chemical kinetics using cellular automata
-
P. G. Seybold, L. B. Kier, and C.-K. Cheng, Simulation of first-order chemical kinetics using cellular automata. J. Chem. Inf. Comput. Sci. 1997, 37, 386-391.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 386-391
-
-
Seybold, P.G.1
Kier, L.B.2
Cheng, C.-K.3
-
31
-
-
0039380995
-
How to avoid yourself
-
B. Hayes, How to avoid yourself. Am. Sci. 1988, 86, 314-319.
-
(1988)
Am. Sci.
, vol.86
, pp. 314-319
-
-
Hayes, B.1
-
32
-
-
0040331431
-
-
Dover Publ. New York
-
G. Gamow, One, Two, Three, . . . Infinity. Dover Publ., New York, 1988.
-
(1988)
One, Two, Three, . . . Infinity
-
-
Gamow, G.1
-
33
-
-
0004232671
-
-
Princeton University Press, Princeton, NJ
-
H. C. Berg, Random Walks in Biology. Princeton University Press, Princeton, NJ, 1983.
-
(1983)
Random Walks in Biology
-
-
Berg, H.C.1
-
34
-
-
0004608709
-
Random walks and their applications
-
G. H. Weiss, Random walks and their applications. Am. Sci. 1983, 71, 65-71.
-
(1983)
Am. Sci.
, vol.71
, pp. 65-71
-
-
Weiss, G.H.1
-
37
-
-
0017260876
-
How far do flies fly?
-
J. R. Powell and T. Dobzhansky, How far do flies fly? Am. Sci. 1976, 10, 179-185.
-
(1976)
Am. Sci.
, vol.10
, pp. 179-185
-
-
Powell, J.R.1
Dobzhansky, T.2
-
38
-
-
0001337952
-
Random walks
-
G. Slade, Random walks. Am. Sci. 1996, 84, 146-153.
-
(1996)
Am. Sci.
, vol.84
, pp. 146-153
-
-
Slade, G.1
-
42
-
-
0028674316
-
Complexity and emergence in drug research
-
L. B.Kier and B. Testa, Complexity and emergence in drug research. Adv. Drug Res. 1995, 26, 1-22.
-
(1995)
Adv. Drug Res.
, vol.26
, pp. 1-22
-
-
Kier, L.B.1
Testa, B.2
-
43
-
-
0036732518
-
Water structure theory and some implications for drug design
-
T. H. Plumridge and R. D. Waigh, Water structure theory and some implications for drug design. J. Pharm. Pharmacol. 2002, 54, 1155-79.
-
(2002)
J. Pharm. Pharmacol
, vol.54
, pp. 1155-1179
-
-
Plumridge, T.H.1
Waigh, R.D.2
-
46
-
-
0033324108
-
Cellular automata models of biochemical phenomena
-
L. B. Kier, C.-K. Cheng, and B. Testa, Cellular automata models of biochemical phenomena. Future Gen. Comput. Sys. 1999, 16, 273.
-
(1999)
Future Gen. Comput. Sys.
, vol.16
, pp. 273
-
-
Kier, L.B.1
Cheng, C.-K.2
Testa, B.3
-
47
-
-
0033648543
-
Cellular automata models of chemical systems
-
L. B. Kier, C.-K. Cheng, and P. Seybold, Cellular automata models of chemical systems. SAR QSAR Environ. Res. 2000, 11, 79-98.
-
(2000)
SAR QSAR Environ. Res.
, vol.11
, pp. 79-98
-
-
Kier, L.B.1
Cheng, C.-K.2
Seybold, P.3
-
48
-
-
0035765458
-
Cellular automata models of aqueous solution systems
-
L. B. Kier, C.-K. Cheng, and P. Seybold, Cellular automata models of aqueous solution systems. Rev. Comput. Chem. 2001, 17, 205-254.
-
(2001)
Rev. Comput. Chem.
, vol.17
, pp. 205-254
-
-
Kier, L.B.1
Cheng, C.-K.2
Seybold, P.3
-
51
-
-
0028963741
-
A cellular automata model of the hydrophobic effect
-
L. B. Kier, C.-K. Cheng, B. Testa, and P. A. Carrupt, A cellular automata model of the hydrophobic effect. Pharm. Res. 1995, 12, 615-620.
-
(1995)
Pharm. Res.
, vol.12
, pp. 615-620
-
-
Kier, L.B.1
Cheng, C.-K.2
Testa, B.3
Carrupt, P.A.4
-
52
-
-
0031532679
-
A cellular automata model of solution phenomena
-
L. B. Kier and C.-K. Cheng, A cellular automata model of solution phenomena. J. Math. Chem. 1997, 21, 71-77.
-
(1997)
J. Math. Chem.
, vol.21
, pp. 71-77
-
-
Kier, L.B.1
Cheng, C.-K.2
-
53
-
-
0028844770
-
A cellular automata model of dissolution
-
L.B.Kier and C.-K. Cheng, A cellular automata model of dissolution. Pharm. Res. 1995, 12, 1521-1526.
-
(1995)
Pharm. Res.
, vol.12
, pp. 1521-1526
-
-
Kier, L.B.1
Cheng, C.-K.2
-
54
-
-
0030833786
-
A cellular automata model of diffusion in aqueous systems
-
L. B. Kier, C.-K. Cheng, and B. Testa, A cellular automata model of diffusion in aqueous systems. J. Pharm. Sci. 1997, 86, 774-779.
-
(1997)
J. Pharm. Sci.
, vol.86
, pp. 774-779
-
-
Kier, L.B.1
Cheng, C.-K.2
Testa, B.3
-
55
-
-
84892780498
-
In cellular automata models of complex systems
-
D. Bonchev and D. H. Rouvray, eds. Springer, New York (in press
-
L. B. Kier and T. M.Witten, in Cellular Automata Models of Complex Systems, in Complexity in Chemistry, Biology and Ecology, D. Bonchev and D. H. Rouvray, eds. Springer, New York (in press).
-
Complexity in Chemistry, Biology and Ecology
-
-
Kier, L.B.1
Witten, T.M.2
-
56
-
-
0029408784
-
A cellular automata model of oil-water partitioning
-
1996, 1054-1-59
-
C.-K. Cheng and L. B. Kier, A cellular automata model of oil-water partitioning. J. Chem. Inf. Comput. Sci. 1995, 1996, 1054-1-59.
-
(1995)
J. Chem. Inf. Comput. Sci.
-
-
Cheng, C.-K.1
Kier, L.B.2
-
57
-
-
84892827567
-
A cellular automata model of partitioning between liquid phases
-
Pliska, Testa, and Waterbeemd, eds. VCH Publ
-
L. B. Kier and C.-K. Cheng, A cellular automata model of partitioning between liquid phases. In Lipophilicity in Drug Research, Pliska, Testa, and Waterbeemd, eds., VCH Publ., 1996.
-
(1996)
Lipophilicity in Drug Research
-
-
Kier, L.B.1
Cheng, C.-K.2
-
58
-
-
0029905847
-
Cellular automata model of micelle formation
-
L. B. Kier, C.-K. Cheng, and B. Testa, Cellular automata model of micelle formation. Pharm. Res. 1996, 13, 1419.
-
(1996)
Pharm. Res.
, vol.13
, pp. 1419
-
-
Kier, L.B.1
Cheng, C.-K.2
Testa, B.3
-
59
-
-
0040888837
-
Dynamic percolation modeled by cellular automata
-
L.B.Kier, C.-K. Cheng, and B. Testa, Dynamic percolation modeled by cellular automata. J. Chem. Inf. Comp. Sci. 1999, 39, 326.
-
(1999)
J. Chem. Inf. Comp. Sci.
, vol.39
, pp. 326
-
-
Kier, L.B.1
Cheng, C.-K.2
Testa, B.3
-
60
-
-
3242783257
-
A cellular automata study of constraints (dissolvence) in a percolating many-particle systems
-
B. Testa, L. B. Kier, C.-K. Cheng, and J. Mayer, A cellular automata study of constraints (dissolvence) in a percolating many-particle systems. Entropy. 2001, 3, 28.
-
(2001)
Entropy
, vol.3
, pp. 28
-
-
Testa, B.1
Kier, L.B.2
Cheng, C.-K.3
Mayer, J.4
-
61
-
-
84892795830
-
Presidential address to the british association for the advancement of science
-
J. C. Maxwell, Presidential Address to the British Association for the Advancement of Science. Liverpool, 1870.
-
(1870)
Liverpool
-
-
Maxwell, J.C.1
-
63
-
-
0034533030
-
A cellular automata model of chromatography
-
L. B. Kier, C.-K. Cheng, and H. T. Karnes, A cellular automata model of chromatography. Biomed. Chromatogr. 2000, 14, 1-7.
-
(2000)
Biomed. Chromatogr
, vol.14
, pp. 1-7
-
-
Kier, L.B.1
Cheng, C.-K.2
Karnes, H.T.3
-
64
-
-
0002824050
-
Uber die allgemeinen osmotischen eigenschaften der zelle
-
E. Overton, Uber die allgemeinen osmotischen eigenschaften der zelle. Naturforsch. Ges. Zurich. 1899, 44, 87-136.
-
(1899)
Naturforsch. Ges. Zurich
, vol.44
, pp. 87-136
-
-
Overton, E.1
-
65
-
-
0031557880
-
A cellular automata model of membrane permeability
-
L. B. Kier and C.-K. Cheng, A cellular automata model of membrane permeability. J. Theor. Biol. 1997, 186, 75.
-
(1997)
J. Theor. Biol.
, vol.186
, pp. 75
-
-
Kier, L.B.1
Cheng, C.-K.2
-
66
-
-
0022518404
-
Non-stochesian nature of the transverse diffusion within human red cell membranes
-
W. R. Lieb and W. D. Stein, Non-stochesian nature of the transverse diffusion within human red cell membranes. J. Membr. Biol. 1986, 92, 111-110.
-
(1986)
J. Membr. Biol.
, vol.92
, pp. 110-111
-
-
Lieb, W.R.1
Stein, W.D.2
-
67
-
-
0001078492
-
Qsar studies on drugs acting at the central nervous system
-
S. P. Gupta, QSAR studies on drugs acting at the central nervous system. Chem. Rev. 1989, 89, 1765-1800.
-
(1989)
Chem. Rev.
, vol.89
, pp. 1765-1800
-
-
Gupta, S.P.1
-
68
-
-
51249188620
-
Themovement ofmolecules across lipidmembranes: Amolecular theory
-
H.Trauble, Themovement ofmolecules across lipidmembranes: Amolecular theory. J.Membr. Biol. 1971, 4, 193-208.
-
(1971)
J.Membr. Biol.
, vol.4
, pp. 193-208
-
-
Trauble, H.1
-
70
-
-
0031094474
-
Simulation of first-order chemical kinetics using cellular automata
-
P. G. Seybold, L. B. Kier, and C.-K. Cheng, Simulation of first-order chemical kinetics using cellular automata. J. Chem. Inf. Comput. Sci. 1997, 37, 386-391.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 386-391
-
-
Seybold, P.G.1
Kier, L.B.2
Cheng, C.-K.3
-
71
-
-
0004213358
-
-
3rd ed. Prentice Hall, Inc. Englewood Cliffs, NJ
-
T. L. Brown and H. E. LeMay, Jr., Chemistry: The Central Science, 3rd ed. Prentice Hall, Inc., Englewood Cliffs, NJ, 1985, 614-615.
-
(1985)
Chemistry: The Central Science
, pp. 614-615
-
-
Brown, T.L.1
Lemay Jr., H.E.2
-
72
-
-
0034274120
-
Cellular automata models of kinetically and thermodynamically controlled reactions
-
A. Neuforth, P. G. Seybold, L. B. Kier, and C.- K. Cheng, Cellular automata models of kinetically and thermodynamically controlled reactions. Int. J. Chem. Kinet. 2000, 32, 529-534.
-
(2000)
Int. J. Chem. Kinet.
, vol.32
, pp. 529-534
-
-
Neuforth, A.1
Seybold, P.G.2
Kier, L.B.3
Cheng, C.-.K.4
-
73
-
-
0003516749
-
-
5th ed. W. H. Freeman, New York
-
P. W. Atkins, Physical Chemistry, 5th ed. W. H. Freeman, New York, 1994.
-
(1994)
Physical Chemistry
-
-
Atkins, P.W.1
-
74
-
-
84892812824
-
-
C. Miller, Nature 2003, 425, 564.
-
(2003)
Nature
, vol.425
, pp. 564
-
-
Miller, C.1
-
75
-
-
84892826785
-
-
J. Moore and P. G. Seybold, unpublished results
-
J. Moore and P. G. Seybold, unpublished results.
-
-
-
-
76
-
-
0842264193
-
Engineering complex systems
-
J. M. Ottino, Engineering complex systems. Nature. 2004, 427, 399.
-
(2004)
Nature
, vol.427
, pp. 399
-
-
Ottino, J.M.1
-
77
-
-
0030206983
-
A cellular automata model of enzyme kinetics
-
L. B. Kier, C.-K. Cheng, and B. Testa, A cellular automata model of enzyme kinetics. J. Mol. Graph. 1996, 14, 227-232.
-
(1996)
J. Mol. Graph.
, vol.14
, pp. 227-232
-
-
Kier, L.B.1
Cheng, C.-K.2
Testa, B.3
-
78
-
-
0034351144
-
A cellular automata model of an anticipatory system
-
L. B. Kier and C.-K. Cheng, A cellular automata model of an anticipatory system. J. Mol. Graph. Model. 2000, 18, 29-33.
-
(2000)
J. Mol. Graph. Model
, vol.18
, pp. 29-33
-
-
Kier, L.B.1
Cheng, C.-K.2
-
79
-
-
16844375302
-
Cellular automata models of enzyme networks
-
L. B. Kier, D. Bonchev, and G. Buck, Cellular automata models of enzyme networks. Chem. Biodivers. 2005, 2, 233-243.
-
(2005)
Chem. Biodivers
, vol.2
, pp. 233-243
-
-
Kier, L.B.1
Bonchev, D.2
Buck, G.3
-
80
-
-
1642603288
-
First-order stochastic cellular automata simulations of the lindemann mechanism
-
C. A. Hollingsworth, P. G. Seybold, L. B. Kier, and C.-K. Cheng, First-order stochastic cellular automata simulations of the Lindemann mechanism. Int. J. Chem. Kinet. 2004, 36, 230-237.
-
(2004)
Int. J. Chem. Kinet
, vol.36
, pp. 230-237
-
-
Hollingsworth, C.A.1
Seybold, P.G.2
Kier, L.B.3
Cheng, C.-K.4
-
82
-
-
0003516749
-
-
6th ed. Freeman, New York
-
P. Atkins. Physical Chemistry, 6th ed. Freeman, New York, 1998, 782-785.
-
(1998)
Physical Chemistry
, pp. 782-785
-
-
Atkins, P.1
-
83
-
-
0032484824
-
Stochastic cellular automata models of molecular excited-state dynamics
-
P. G. Seybold, L. B. Kier, and C.-K. Cheng, Stochastic cellular automata models of molecular excited-state dynamics. J. Phys. Chem. 1988, 102, 886-891.
-
(1988)
J. Phys. Chem.
, vol.102
, pp. 886-891
-
-
Seybold, P.G.1
Kier, L.B.2
Cheng, C.-K.3
-
84
-
-
0042812844
-
Aurora borealis: Stochastic cellular automata simulations of the excited-state dynamics of oxygen atoms
-
P. G. Seybold, L. B. Kier, and C.-K. Cheng, Aurora borealis: Stochastic cellular automata simulations of the excited-state dynamics of oxygen atoms. Int. J. Quantum Chem. 1999, 75, 751-756.
-
(1999)
Int. J. Quantum Chem.
, vol.75
, pp. 751-756
-
-
Seybold, P.G.1
Kier, L.B.2
Cheng, C.-K.3
|