-
3
-
-
0029170114
-
-
Cheatham, T. E., III; Miller, J. L.; Fox, T.; Darden, T. A.; Kollman, P. A. J. Am. Chem. Soc. 1995, 117, 4193-4194.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 4193-4194
-
-
Cheatham T.E. III1
Miller, J.L.2
Fox, T.3
Darden, T.A.4
Kollman, P.A.5
-
4
-
-
0029110156
-
-
York, D. M.; Yang, W.; Lee, H.; Darden, T.; Pedersen, L. G. J. Am. Chem. Soc. 1995, 117, 5001-5002.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 5001-5002
-
-
York, D.M.1
Yang, W.2
Lee, H.3
Darden, T.4
Pedersen, L.G.5
-
5
-
-
0030862276
-
-
Young, M. A.; Ravishanker, G.; Beveridge, D. L. Biophys. J. 1997, 73, 2313.
-
(1997)
Biophys. J.
, vol.73
, pp. 2313
-
-
Young, M.A.1
Ravishanker, G.2
Beveridge, D.L.3
-
6
-
-
0347875085
-
-
Leontis, N. B., SantaLucia, J. , Eds.; American Chemical Society, Washington, DC
-
Cheatham, T. E., III; Miller, J. L.; Spector, T. I.; Cieplak, P.; Kollman, P. A. In Molecular Modeling of Nucleic Acids; Leontis, N. B., SantaLucia, J. , Eds.; American Chemical Society, Washington, DC, 1998; pp 285-303.
-
(1998)
Molecular Modeling of Nucleic Acids
, pp. 285-303
-
-
Cheatham T.E. III1
Miller, J.L.2
Spector, T.I.3
Cieplak, P.4
Kollman, P.A.5
-
7
-
-
0346614817
-
-
Leontis, N. B., SantaLucia, J.. Eds.; American Chemical Society: Washington, DC
-
Beveridge, D. L.; Young, M. A.; Sprous, D. In Molecular Modeling of Nucleic Acids; Leontis, N. B., SantaLucia, J.. Eds.; American Chemical Society: Washington, DC, 1998; pp 260-284.
-
(1998)
Molecular Modeling of Nucleic Acids
, pp. 260-284
-
-
Beveridge, D.L.1
Young, M.A.2
Sprous, D.3
-
8
-
-
0001211689
-
-
Leontis, N. B., SantaLucia, J., Eds.; American Chemical Society: Washington, DC
-
MacKerell, A. D., Jr. In Molecular Modeling of Nucleic Acids; Leontis, N. B., SantaLucia, J., Eds.; American Chemical Society: Washington, DC, 1998; pp 304-311.
-
(1998)
Molecular Modeling of Nucleic Acids
, pp. 304-311
-
-
MacKerell A.D., Jr.1
-
15
-
-
33751385054
-
-
Honig, B.; Sharp, K.; Yang, A.-S. J. Phys. Chem. 1993, 97, 1101-1109.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 1101-1109
-
-
Honig, B.1
Sharp, K.2
Yang, A.-S.3
-
18
-
-
0344778061
-
-
Still, W. C.; Tempczyk, A.; Hawley, R. C.; Hendrickson, T. J. Am. Chem. Soc. 1990, 112, 6127-6129.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 6127-6129
-
-
Still, W.C.1
Tempczyk, A.2
Hawley, R.C.3
Hendrickson, T.4
-
20
-
-
4043171970
-
-
Qiu, D.; Shenkin, P. S.; Hollinger, F. P.; Still, W. C. J. Phys. Chem. A 1997, 101, 3005-3014.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 3005-3014
-
-
Qiu, D.1
Shenkin, P.S.2
Hollinger, F.P.3
Still, W.C.4
-
21
-
-
0031075977
-
-
Edinger, S. R.; Cortis, C.; Shenkin, P. S.; Friesner, R. A. J. Phys. Chem. B 1997, 101, 1190-1197.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 1190-1197
-
-
Edinger, S.R.1
Cortis, C.2
Shenkin, P.S.3
Friesner, R.A.4
-
22
-
-
0032560959
-
-
Srinivasan, J.; Cheatham, T. E., III; Kollman, P.; Case, D. A. J. Am. Chem. Soc. 1998, 120, 9401-9409.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 9401-9409
-
-
Srinivasan, J.1
Cheatham T.E. III2
Kollman, P.3
Case, D.A.4
-
23
-
-
0033468737
-
-
Srinivasan, J.; Trevathan, M. W.; Beroza, P.; Case, D. A. Theor. Chem. Acc. 1999, 101, 426-434.
-
(1999)
Theor. Chem. Acc.
, vol.101
, pp. 426-434
-
-
Srinivasan, J.1
Trevathan, M.W.2
Beroza, P.3
Case, D.A.4
-
25
-
-
0001246294
-
-
Ghosh, A.; Rapp, C. S.; Friesner, R. A. J. Phys. Chem. B 1998, 102, 10983-10990.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 10983-10990
-
-
Ghosh, A.1
Rapp, C.S.2
Friesner, R.A.3
-
27
-
-
0000741414
-
-
Jayaram, B.; Liu, Y.; Beveridge, D. L. J. Phys. Chem. 1998, 109, 1465-1471.
-
(1998)
J. Phys. Chem.
, vol.109
, pp. 1465-1471
-
-
Jayaram, B.1
Liu, Y.2
Beveridge, D.L.3
-
28
-
-
0000043930
-
-
Jayaram, B.; Sprous, D.; Beveridge, D. L. J. Phys. Chem. B 1998, 102, 9571-9576.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 9571-9576
-
-
Jayaram, B.1
Sprous, D.2
Beveridge, D.L.3
-
29
-
-
0032556243
-
-
Jayaram, B.; Sprous, D.; Young, M. A.; Beveridge, D. J. Am. Chem. Soc. 1998, 120, 10629-10633.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 10629-10633
-
-
Jayaram, B.1
Sprous, D.2
Young, M.A.3
Beveridge, D.4
-
30
-
-
0032466648
-
-
Srinivasan, J.; Miller, J.; Kollman, P. A.; Case, D. A. J. Biomol. Struct. Dyn. 1998, 16, 671-682.
-
(1998)
J. Biomol. Struct. Dyn.
, vol.16
, pp. 671-682
-
-
Srinivasan, J.1
Miller, J.2
Kollman, P.A.3
Case, D.A.4
-
32
-
-
0031872292
-
-
Vorobjev, Y. N.; Almagro, J. C.; Hermans, J. Proteins 1998, 32, 399-413.
-
(1998)
Proteins
, vol.32
, pp. 399-413
-
-
Vorobjev, Y.N.1
Almagro, J.C.2
Hermans, J.3
-
33
-
-
0032484151
-
-
Schaefer, M.; Bartels, C.; Karplus, M. J. Mol. Biol. 1998, 284, 835.
-
(1998)
J. Mol. Biol.
, vol.284
, pp. 835
-
-
Schaefer, M.1
Bartels, C.2
Karplus, M.3
-
35
-
-
0002636134
-
-
Hawkins, G. D.; Cramer, C. J.; Truhlar, D. G. Chem. Phys. Lett. 1995, 246, 122-129.
-
(1995)
Chem. Phys. Lett.
, vol.246
, pp. 122-129
-
-
Hawkins, G.D.1
Cramer, C.J.2
Truhlar, D.G.3
-
36
-
-
33748390341
-
-
Hawkins, G. D.; Cramer, C. J.; Truhlar, D. G. J. Phys. Chem. 1996, 100, 19824-19839.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 19824-19839
-
-
Hawkins, G.D.1
Cramer, C.J.2
Truhlar, D.G.3
-
37
-
-
0004268506
-
-
University of California: San Francisco
-
Case, D. A.; Pearlman, D. A.; Caldwell, J. C., III; Cheatham, T. E.; Ross, W. S.; Simmerling, C. L.; Darden, T. A.; Merz, K. M.; Stanton, R. V.; Cheng, A. L.; Vincent, J. J.; Crowley, M.; Tsui, V.; Radmer, R. J.; Duan, Y.; Pitera, J.; Massova, I.; Seibel, G. L.; Singh, U. C.; Weiner, P. K.; Kollman, P. A., AMBER 6; University of California: San Francisco 1999.
-
(1999)
AMBER 6
-
-
Case, D.A.1
Pearlman, D.A.2
Caldwell J.C. III3
Cheatham, T.E.4
Ross, W.S.5
Simmerling, C.L.6
Darden, T.A.7
Merz, K.M.8
Stanton, R.V.9
Cheng, A.L.10
Vincent, J.J.11
Crowley, M.12
Tsui, V.13
Radmer, R.J.14
Duan, Y.15
Pitera, J.16
Massova, I.17
Seibel, G.L.18
Singh, U.C.19
Weiner, P.K.20
Kollman, P.A.21
more..
-
38
-
-
0345983583
-
-
Leontis, N. B., SantaLucia, J., Eds.; Washington, DC
-
Macke, T. J.; Case, D. A. In Molecular Modeling of Nucleic Acids; Leontis, N. B., SantaLucia, J., Eds.; Washington, DC, 1998; pp 379-393.
-
(1998)
Molecular Modeling of Nucleic Acids
, pp. 379-393
-
-
Macke, T.J.1
Case, D.A.2
-
40
-
-
0001611806
-
-
Ösapay, K.; Young, W.; Bashford, D.; Brooks, C. L., III; Case, D. A. J. Phys. Chem. 1996, 100, 2698-2705.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 2698-2705
-
-
Ösapay, K.1
Young, W.2
Bashford, D.3
Brooks C.L. III4
Case, D.A.5
-
41
-
-
0027219184
-
-
Bashford, D.; Case, D. A.; Dalvit, C.; Tennant, L.; Wright, P. E. Biochemistry 1993, 32, 8045-8056.
-
(1993)
Biochemistry
, vol.32
, pp. 8045-8056
-
-
Bashford, D.1
Case, D.A.2
Dalvit, C.3
Tennant, L.4
Wright, P.E.5
-
42
-
-
33751159055
-
-
Chen, J. L.; Noodleman, L.; Case, D. A.; Bashford, D. J. Phys. Chem. 1994, 98, 11059-11068.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11059-11068
-
-
Chen, J.L.1
Noodleman, L.2
Case, D.A.3
Bashford, D.4
-
43
-
-
84962440579
-
-
Richardson, W. H.; Peng, C.; Bashford, D.; Noodleman, L.; Case, D. A. Int. J. Quantum Chem. 1997, 61, 207-217.
-
(1997)
Int. J. Quantum Chem.
, vol.61
, pp. 207-217
-
-
Richardson, W.H.1
Peng, C.2
Bashford, D.3
Noodleman, L.4
Case, D.A.5
-
44
-
-
0030852818
-
-
Demchuk, E.; Bashford, D.; Gippert, G.; Case, D. A. J. Mol. Biol. 1997, 270, 305-317.
-
(1997)
J. Mol. Biol.
, vol.270
, pp. 305-317
-
-
Demchuk, E.1
Bashford, D.2
Gippert, G.3
Case, D.A.4
-
46
-
-
0342714772
-
-
http://dasher.wustl.edu/tinker 1995.
-
(1995)
-
-
-
47
-
-
32844457567
-
-
Sitkoff, D.; Sharp, K. A.; Honig, B. J. Phys. Chem. 1994, 98, 1978-1988.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 1978-1988
-
-
Sitkoff, D.1
Sharp, K.A.2
Honig, B.3
-
48
-
-
0029011701
-
-
Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M., Jr.; Ferguson, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. J. Am. Chem. Soc. 1995, 117, 5179-5197.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz K.M., Jr.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
50
-
-
0027441950
-
-
Amadei, A.; Linssen, A. B. M.; Berendsen, H. J. C. Proteins 1993, 17, 412-425.
-
(1993)
Proteins
, vol.17
, pp. 412-425
-
-
Amadei, A.1
Linssen, A.B.M.2
Berendsen, H.J.C.3
-
52
-
-
0032802062
-
-
Amadei, A.; Ceruso, M. A.; Di Nola, A. Proteins 1999, 36, 419-435.
-
(1999)
Proteins
, vol.36
, pp. 419-435
-
-
Amadei, A.1
Ceruso, M.A.2
Di Nola, A.3
-
54
-
-
0030954859
-
-
Cheatham, T. E., III; Crowley, M. F.; Fox, T.; Kollman, P. A. Proc. Natl. Acad. Sci. U.S.A. 1997, 94, 9626-9630.
-
(1997)
Proc. Natl. Acad. Sci. U.S.A.
, vol.94
, pp. 9626-9630
-
-
Cheatham T.E. III1
Crowley, M.F.2
Fox, T.3
Kollman, P.A.4
-
55
-
-
33646940952
-
-
Ryckaert, J.-P.; Ciccotti, G.; Berendsen, H. J. C. J. Comput. Phys. 1977, 23, 327-341.
-
(1977)
J. Comput. Phys.
, vol.23
, pp. 327-341
-
-
Ryckaert, J.-P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
57
-
-
0024556774
-
-
Ravishanker, G.; Swaminathan, S.; Beveridge, D. L.; Lavery, R.; Sklenar, H. J. Biomol. Struct. Dyn. 1989, 6, 669-699.
-
(1989)
J. Biomol. Struct. Dyn.
, vol.6
, pp. 669-699
-
-
Ravishanker, G.1
Swaminathan, S.2
Beveridge, D.L.3
Lavery, R.4
Sklenar, H.5
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