-
1
-
-
0036725277
-
Nature Struct. Biol.
-
M. Karplus, J. A. McCammon, Nature Struct. Biol. 2002, 9, 646-652.
-
(2002)
, vol.9
, pp. 646-652
-
-
Karplus, M.1
McCammon, J.A.2
-
2
-
-
0242443693
-
Adv. Protein Chem.
-
J. W. Ponder, D. A. Case, Adv. Protein Chem. 2003, 66, 27-85.
-
(2003)
, vol.66
, pp. 27-85
-
-
Ponder, J.W.1
Case, D.A.2
-
3
-
-
0037397987
-
Current Opinion in Struct. Biol.
-
S. Gnanakaran et al., Current Opinion in Struct. Biol. 2003, 13, 168-174.
-
(2003)
, vol.13
, pp. 168-174
-
-
Gnanakaran, S.1
-
4
-
-
0003451443
-
Computer Simulations of Liquids
-
Clarendon, Oxford
-
M. P. Allen, D. J. Tildesley, Computer Simulations of Liquids. Clarendon, Oxford, 1987.
-
(1987)
-
-
Allen, M.P.1
Tildesley, D.J.2
-
5
-
-
0021476470
-
Q. Rev. Biophys.
-
A. Warshel, S. T. Russel, Q. Rev. Biophys. 1984, 17, 283-422.
-
(1984)
, vol.17
, pp. 283-422
-
-
Warshel, A.1
Russel, S.T.2
-
6
-
-
1842422953
-
J. Chem. Phys.
-
G. Mathias, P. Tavan, J. Chem. Phys. 2004, 120, 4393-4403.
-
(2004)
, vol.120
, pp. 4393-4403
-
-
Mathias, G.1
Tavan, P.2
-
7
-
-
0036836445
-
J. Mol. Liquids
-
B. Guillot, J. Mol. Liquids 2002, 101, 219-260.
-
(2002)
, vol.101
, pp. 219-260
-
-
Guillot, B.1
-
8
-
-
0036280693
-
Acc. Chem. Res.
-
C. L. Brooks, Acc. Chem. Res. 2002, 35, 447-454.
-
(2002)
, vol.35
, pp. 447-454
-
-
Brooks, C.L.1
-
9
-
-
0000928098
-
J. Chem. Phys.
-
M. Eichinger, P. Tavan, J. Hutter, M. Parrinello, J. Chem. Phys. 1999, 110, 10452-10467.
-
(1999)
, vol.110
, pp. 10452-10467
-
-
Eichinger, M.1
Tavan, P.2
Hutter, J.3
Parrinello, M.4
-
10
-
-
26544447599
-
J. Chem. Phys.
-
K. Laasonen, M. Sprik, M. Parrinello, R. Car, J. Chem. Phys. 1993, 99, 9080-9089.
-
(1993)
, vol.99
, pp. 9080-9089
-
-
Laasonen, K.1
Sprik, M.2
Parrinello, M.3
Car, R.4
-
11
-
-
0003604014
-
The Hydrophobic Effect: Formation of Micelles and Biological Membranes
-
Wiley, New York
-
C. Tanford, The Hydrophobic Effect: Formation of Micelles and Biological Membranes. Wiley, New York, 1980.
-
(1980)
-
-
Tanford, C.1
-
12
-
-
0004260243
-
Protein Folding
-
Ed: T. E. Creighton, Freeman, New York
-
P. L. Privalov, in Protein Folding, Ed: T. E. Creighton, Freeman, New York, 1992.
-
(1992)
-
-
Privalov, P.L.1
-
13
-
-
0028909764
-
Meth. Enzymol.
-
F. Siebert, Meth. Enzymol. 1995, 246, 501-526.
-
(1995)
, vol.246
, pp. 501-526
-
-
Siebert, F.1
-
14
-
-
0017776823
-
Nature
-
J. A. McCammon, B. R. Gelin, M. Karplus, Nature 1977, 267, 585-590.
-
(1977)
, vol.267
, pp. 585-590
-
-
McCammon, J.A.1
Gelin, B.R.2
Karplus, M.3
-
16
-
-
0024094768
-
Proc. Natl Acad. Sci. USA
-
M. Levitt, R. Sharon, Proc. Natl Acad. Sci. USA 1988, 85, 7557-7561.
-
(1988)
, vol.85
, pp. 7557-7561
-
-
Levitt, M.1
Sharon, R.2
-
17
-
-
0000079878
-
J. Chem. Phys.
-
A. Rahman, F. H. Stillinger, J. Chem. Phys. 1971, 55, 3336-3359.
-
(1971)
, vol.55
, pp. 3336-3359
-
-
Rahman, A.1
Stillinger, F.H.2
-
18
-
-
0038455935
-
J. Chem. Phys.
-
G. Mathias, B. Egwolf, M. Nonella, P. Tavan, J. Chem. Phys. 2003, 118, 10847-10860.
-
(2003)
, vol.118
, pp. 10847-10860
-
-
Mathias, G.1
Egwolf, B.2
Nonella, M.3
Tavan, P.4
-
19
-
-
4544369164
-
J. Chem. Phys.
-
I. G. Tironi, R. Sperb, P. E. Smith, W. F. van Gunsteren, J. Chem. Phys. 1995, 102, 5451-5459.
-
(1995)
, vol.102
, pp. 5451-5459
-
-
Tironi, I.G.1
Sperb, R.2
Smith, P.E.3
Van Gunsteren, W.F.4
-
21
-
-
33846823909
-
J. Chem. Phys.
-
T. A. Darden, D. York, L. Pedersen, J. Chem. Phys. 1993, 98, 10089-10092.
-
(1993)
, vol.98
, pp. 10089-10092
-
-
Darden, T.A.1
York, D.2
Pedersen, L.3
-
22
-
-
33645961739
-
J. Chem. Phys.
-
U. Essmann et al., J. Chem. Phys. 1995, 103, 8577-8593.
-
(1995)
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
-
23
-
-
0000642278
-
J. Chem. Phys.
-
B. A. Luty, I. G. Tironi, W. F. van Gunsteren, J. Chem. Phys. 1995, 103, 3014-3021.
-
(1995)
, vol.103
, pp. 3014-3021
-
-
Luty, B.A.1
Tironi, I.G.2
Van Gunsteren, W.F.3
-
25
-
-
0000853232
-
J. Chem. Phys.
-
C. Niedermeier, P. Tavan, J. Chem. Phys. 1994, 101, 734-748.
-
(1994)
, vol.101
, pp. 734-748
-
-
Niedermeier, C.1
Tavan, P.2
-
26
-
-
0002536003
-
Mol. Simul.
-
C. Niedermeier, P. Tavan, Mol. Simul. 1996, 17, 57-66.
-
(1996)
, vol.17
, pp. 57-66
-
-
Niedermeier, C.1
Tavan, P.2
-
27
-
-
0035789518
-
J. Mol. Mod.
-
E. Lindahl, B. Hess, D. van der Spoel, J. Mol. Mod. 2001, 7, 306-317.
-
(2001)
, vol.7
, pp. 306-317
-
-
Lindahl, E.1
Hess, B.2
Van Der Spoel, D.3
-
28
-
-
84889776283
-
Lehrstuhl für BioMolekulare Optik
-
EGO-MMII Users Guide, LMU München, Oettingenstrasse 67, D-80538 München, unpublished
-
G. Mathias et al., EGO-MMII Users Guide. Lehrstuhl für BioMolekulare Optik, LMU München, Oettingenstrasse 67, D-80538 München, unpublished.
-
-
-
Mathias, G.1
-
29
-
-
0036882094
-
J. Comput. Chem.
-
G. A. Kaminski et al., J. Comput. Chem. 2002, 23, 1515-1531.
-
(2002)
, vol.23
, pp. 1515-1531
-
-
Kaminski, G.A.1
-
30
-
-
84977303841
-
Acta Crystallogr. Sec.
-
M. Marquart et al., Acta Crystallogr. Sec. 1983, 39, 480-490.
-
(1983)
, vol.39
, pp. 480-490
-
-
Marquart, M.1
-
31
-
-
0037327061
-
J. Chem. Phys.
-
B. Egwolf, P. Tavan, J. Chem. Phys. 2003, 118, 2039-2056.
-
(2003)
, vol.118
, pp. 2039-2056
-
-
Egwolf, B.1
Tavan, P.2
-
32
-
-
0004016501
-
J. Chem. Phys.
-
L. Jorgensen et al., J. Chem. Phys. 1983, 79, 926-935.
-
(1983)
, vol.79
, pp. 926-935
-
-
Jorgensen, L.1
-
33
-
-
0041784950
-
J. Phys. Chem. B
-
A. D. MacKerell et al., J. Phys. Chem. B 1998, 102, 3586-3616.
-
(1998)
, vol.102
, pp. 3586-3616
-
-
MacKerell, A.D.1
-
34
-
-
0000667030
-
J. Am. Chem. Soc.
-
W. D. Cornell et al., J. Am. Chem. Soc. 1995, 115, 9620-9631.
-
(1995)
, vol.115
, pp. 9620-9631
-
-
Cornell, W.D.1
-
35
-
-
0035913529
-
J. Phys. Chem. B
-
G. A. Kaminski, R. A. Friesner, J. Tirado-Rives, W. L. Jorgensen, J. Phys. Chem. B 2001, 105, 6474-6487.
-
(2001)
, vol.105
, pp. 6474-6487
-
-
Kaminski, G.A.1
Friesner, R.A.2
Tirado-Rives, J.3
Jorgensen, W.L.4
-
36
-
-
0000020246
-
J. Chem. Phys.
-
M. W. Mahoney, W. L. Jorgensen, J. Chem. Phys. 2000, 112, 8910-8922.
-
(2000)
, vol.112
, pp. 8910-8922
-
-
Mahoney, M.W.1
Jorgensen, W.L.2
-
37
-
-
0034806777
-
J. Am. Chem. Soc.
-
X. Daura et al., J. Am. Chem. Soc. 2001, 123, 2393-2404.
-
(2001)
, vol.123
, pp. 2393-2404
-
-
Daura, X.1
-
38
-
-
0030059225
-
Science
-
H. Grubmüller, B. Heymann, P. Tavan, Science 1996, 271, 997-999.
-
(1996)
, vol.271
, pp. 997-999
-
-
Grubmüller, H.1
Heymann, B.2
Tavan, P.3
-
39
-
-
0037062505
-
Proc. Natl Acad. Sci. USA
-
S. Spörlein et al., Proc. Natl Acad. Sci. USA 2002, 99, 7998-8002.
-
(2002)
, vol.99
, pp. 7998-8002
-
-
Spörlein, S.1
-
40
-
-
0001349174
-
J. Chem. Phys.
-
W. F. van Gunsteren, A. E. Mark, J. Chem. Phys. 1998, 108, 6109-6116.
-
(1998)
, vol.108
, pp. 6109-6116
-
-
Van Gunsteren, W.F.1
Mark, A.E.2
-
41
-
-
0030021471
-
Science
-
H. J. C. Berendsen, Science 1996, 271, 954-955.
-
(1996)
, vol.271
, pp. 954-955
-
-
Berendsen, H.J.C.1
-
42
-
-
0023090541
-
Science
-
A. T. Brünger et al., Science 1987, 235, 1049-1053.
-
(1987)
, vol.235
, pp. 1049-1053
-
-
Brünger, A.T.1
-
43
-
-
0017100947
-
J. Mol. Biol
-
A. Warshel and M. Levitt, J. Mol. Biol 1976, 103, 227-249.
-
(1976)
, vol.103
, pp. 227-249
-
-
Warshel, A.1
Levitt, M.2
-
44
-
-
10644250257
-
Phys. Rev B
-
P. Hohenberg, W. Kohn, Phys. Rev B 1964, 136, 864-870.
-
(1964)
, vol.136
, pp. 864-870
-
-
Hohenberg, P.1
Kohn, W.2
-
45
-
-
0042113153
-
Phys. Rev. A
-
W. Kohn, L. J. Sham, Phys. Rev. A 1965, 140, 1133-1138.
-
(1965)
, vol.140
, pp. 1133-1138
-
-
Kohn, W.1
Sham, L.J.2
-
46
-
-
0004133516
-
Gaussian
-
Gaussian, Inc., Pittsburgh PA
-
M. J. Frisch et al., Gaussian 98, Gaussian, Inc., Pittsburgh PA, 1998.
-
(1998)
, vol.98
-
-
Frisch, M.J.1
-
47
-
-
0038737960
-
J. Chem. Phys.
-
J. Neugebauer, B. A. Hess, J. Chem. Phys. 2003, 118, 7215-7225.
-
(2003)
, vol.118
, pp. 7215-7225
-
-
Neugebauer, J.1
Hess, B.A.2
-
48
-
-
21844497853
-
Chem. Phys.
-
M. Nonella, P. Tavan, Chem. Phys. 1995, 199, 19-32.
-
(1995)
, vol.199
, pp. 19-32
-
-
Nonella, M.1
Tavan, P.2
-
49
-
-
0037426786
-
J. Phys. Chem. B
-
M. Nonella, G. Mathias, M. Eichinger, P. Tavan, J. Phys. Chem. B 2003, 107, 316-322.
-
(2003)
, vol.107
, pp. 316-322
-
-
Nonella, M.1
Mathias, G.2
Eichinger, M.3
Tavan, P.4
-
50
-
-
0242365465
-
J. Phys. Chem. A
-
M. Nonella, G. Mathias, P. Tavan, J. Phys. Chem. A 2003, 107, 8638-8647.
-
(2003)
, vol.107
, pp. 8638-8647
-
-
Nonella, M.1
Mathias, G.2
Tavan, P.3
-
51
-
-
0033654297
-
Annu. Rev. Phys. Chem.
-
D. Bashford, D. A. Case, Annu. Rev. Phys. Chem. 2000, 51, 129-152.
-
(2000)
, vol.51
, pp. 129-152
-
-
Bashford, D.1
Case, D.A.2
-
52
-
-
0037038372
-
Nature
-
C. D. Snow, N. Nguyen, V. S. Pande, M. Gruebele, Nature 2002, 420, 102-106.
-
(2002)
, vol.420
, pp. 102-106
-
-
Snow, C.D.1
Nguyen, N.2
Pande, V.S.3
Gruebele, M.4
-
53
-
-
0036789950
-
Proc. Natl Acad. Sci. USA
-
R. H. Zhou, B. J. Berne, Proc. Natl Acad. Sci. USA 2002, 99, 12777-12782.
-
(2002)
, vol.99
, pp. 12777-12782
-
-
Zhou, R.H.1
Berne, B.J.2
-
54
-
-
0344702698
-
Proc. Natl Acad. Sci. USA
-
H. Nymeyer, A. E. Garcia, Proc. Natl Acad. Sci. USA 2003, 100, 13934-13939.
-
(2003)
, vol.100
, pp. 13934-13939
-
-
Nymeyer, H.1
Garcia, A.E.2
-
55
-
-
1242287118
-
J. Chem. Phys.
-
B. Egwolf, P. Tavan, J. Chem. Phys. 2004, 120, 2056-2068.
-
(2004)
, vol.120
, pp. 2056-2068
-
-
Egwolf, B.1
Tavan, P.2
-
56
-
-
0034315712
-
J. Phys. Chem. B
-
S. Woutersen, P. Hamm, J. Phys. Chem. B 2000, 104, 11316-11320.
-
(2000)
, vol.104
, pp. 11316-11320
-
-
Woutersen, S.1
Hamm, P.2
-
57
-
-
84914202563
-
Dissertation
-
Ludwig-Maximilians-Universität München
-
H. Carstens, Dissertation, Ludwig-Maximilians-Universität München, 2004.
-
(2004)
-
-
Carstens, H.1
-
58
-
-
0034578592
-
Biopolymers
-
C. Renner et al., Biopolymers 2000, 54, 489-500.
-
(2000)
, vol.54
, pp. 489-500
-
-
Renner, C.1
-
59
-
-
0000430580
-
Phys. Rev. E
-
M. Kloppenburg, P. Tavan, Phys. Rev. E 1997, 55, 2089-2092.
-
(1997)
, vol.55
, pp. 2089-2092
-
-
Kloppenburg, M.1
Tavan, P.2
-
60
-
-
0345721398
-
Dissertation
-
Ludwig-Maximilians-Universität München
-
S. Spörlein, Dissertation, Ludwig-Maximilians-Universität München, 2001.
-
(2001)
-
-
Spörlein, S.1
|