-
1
-
-
0026742978
-
-
Berman, H. M.,;, Olson, W. K.,;, Beveridge, D. L.,;, Westbrook, J.,;, Gelbin, A.,;, Demeny, T.,;, Hsieh, S.-H.,;, Srinivasan, A. R.,;, Schneider, B., Biophys J 1992, 63, 751-759.
-
(1992)
Biophys J
, vol.63
, pp. 751-759
-
-
Berman, H.M.1
Olson, W.K.2
Beveridge, D.L.3
Westbrook, J.4
Gelbin, A.5
Demeny, T.6
Hsieh, S.-H.7
Srinivasan, A.R.8
Schneider, B.9
-
2
-
-
46349098220
-
-
Svozil, D.,;, Kalina, J.,;, Omelka, M.,;, Schneider, B., Nucleic Acids Res 2008, 36, 3690-3706.
-
(2008)
Nucleic Acids Res
, vol.36
, pp. 3690-3706
-
-
Svozil, D.1
Kalina, J.2
Omelka, M.3
Schneider, B.4
-
3
-
-
40949086882
-
-
Poltev, V. I.,;, Anisimov, V. M.,;, Danilov, V. I.,;, Deriabina, A.,;, Gonzalez, E.,;, Jurkiewiez, A.,;, Les, A.,;, Polteva, N., J Biomol Struct Dyn 2008, 25, 563-571.
-
(2008)
J Biomol Struct Dyn
, vol.25
, pp. 563-571
-
-
Poltev, V.I.1
Anisimov, V.M.2
Danilov, V.I.3
Deriabina, A.4
Gonzalez, E.5
Jurkiewiez, A.6
Les, A.7
Polteva, N.8
-
4
-
-
69949164191
-
-
Poltev, V. I.,;, Anisimov, V. M.,;, Danilov, V. I.,;, Deriabina, A,;, Gonzalez, E.,;, Garcia, D.,;, Rivas, F.,;, Jurkievich, A.,;, Les, A.,;, Polteva, N., J Mol Struct Theochem 2009, 912, 53-59.
-
(2009)
J Mol Struct Theochem
, vol.912
, pp. 53-59
-
-
Poltev, V.I.1
Anisimov, V.M.2
Danilov, V.I.3
Deriabina, A.4
Gonzalez, E.5
Garcia, D.6
Rivas, F.7
Jurkievich, A.8
Les, A.9
Polteva, N.10
-
5
-
-
77958077449
-
-
Poltev, V. I.,;, Anisimov, V. M.,;, Danilov, V. I.,;, Van Mourik, T.,;, Deriabina, A.,;, Gonzalez, E.,;, Padua, M.,;, Garcia, D.,;, Rivas, F.,;, Polteva, N., Int J Quant Chem 2010, 110, 2548-2559.
-
(2010)
Int J Quant Chem
, vol.110
, pp. 2548-2559
-
-
Poltev, V.I.1
Anisimov, V.M.2
Danilov, V.I.3
Van Mourik, T.4
Deriabina, A.5
Gonzalez, E.6
Padua, M.7
Garcia, D.8
Rivas, F.9
Polteva, N.10
-
6
-
-
84555202703
-
-
Poltev, V. I.,;, Anisimov, V. M.,;, Danilov, V. I.,;, Garcia, D.,;, Deriabina, A.,;, Gonzalez, E.,;, Salazar, R.,;, Rivas, F.,;, Polteva, N., Comp Theor Chem 2011, 975, 69-75.
-
(2011)
Comp Theor Chem
, vol.975
, pp. 69-75
-
-
Poltev, V.I.1
Anisimov, V.M.2
Danilov, V.I.3
Garcia, D.4
Deriabina, A.5
Gonzalez, E.6
Salazar, R.7
Rivas, F.8
Polteva, N.9
-
7
-
-
80053254400
-
-
Churchill, C. D. M.,;, Wetmore, S. D., Phys Chem Chem Phys 2011, 13, 16373-16383.
-
(2011)
Phys Chem Chem Phys
, vol.13
, pp. 16373-16383
-
-
Churchill, C.D.M.1
Wetmore, S.D.2
-
8
-
-
84855712578
-
-
Mladek, A.,;, Šponer, J. E.,;, Kulhánek, P.,;, Lu, X. J.,;, Olson, W. K.,;, Šponer, J., J Chem Theory Comput 2012, 8, 335-347.
-
(2012)
J Chem Theory Comput
, vol.8
, pp. 335-347
-
-
Mladek, A.1
Šponer, J.E.2
Kulhánek, P.3
Lu, X.J.4
Olson, W.K.5
Šponer, J.6
-
9
-
-
84865976041
-
-
Zhang, Y. C.,;, Liang, J.,;, Lian, P.,;, Han, Y. W.,;, Chen, Y. F.,;, Bai, L. Q.,;, Wang, Z. J.,;, Liang, J. D.,;, Deng, Z. X.,;, Zhao, Y.-L., J Phys Chem B 2012, 116, 10639-10648.
-
(2012)
J Phys Chem B
, vol.116
, pp. 10639-10648
-
-
Zhang, Y.C.1
Liang, J.2
Lian, P.3
Han, Y.W.4
Chen, Y.F.5
Bai, L.Q.6
Wang, Z.J.7
Liang, J.D.8
Deng, Z.X.9
Zhao, Y.-L.10
-
10
-
-
84871017094
-
-
Lenz, S. A. P.,;, Kellie, J. L.,;, Wetmore, S. D., J Phys Chem B 2012, 116, 49, 14275-14284.
-
(2012)
J Phys Chem B
, vol.116
, Issue.49
, pp. 14275-14284
-
-
Lenz, S.A.P.1
Kellie, J.L.2
Wetmore, S.D.3
-
11
-
-
84867973569
-
-
Šponer, J.,;, Mladek, A.,;, Šponer, J. E.,;, Svozil, D.,;, Zgarbova, M.,;, Banas, P.,;, Jurecka, P.,;, Otyepka, M., Phys Chem Chem Phys 2012, 14, 15257-15277.
-
(2012)
Phys Chem Chem Phys
, vol.14
, pp. 15257-15277
-
-
Šponer, J.1
Mladek, A.2
Šponer, J.E.3
Svozil, D.4
Zgarbova, M.5
Banas, P.6
Jurecka, P.7
Otyepka, M.8
-
12
-
-
0001645699
-
-
and
-
Sosa, C.,;, Andzelm, J.,;, Elkin, B. C.,;, Wimmer, E.,;, Dobbs, K. D.,; and, Dixon, D. A., J Phys Chem 1992, 96, 6630-6636.
-
(1992)
J Phys Chem
, vol.96
, pp. 6630-6636
-
-
Sosa, C.1
Andzelm, J.2
Elkin, B.C.3
Wimmer, E.4
Dobbs, K.D.5
Dixon, D.A.6
-
13
-
-
20644438873
-
-
te Velde, G.,;, Bickelhaupt, F. M.,;, Baerends, E. J.,;, Fonseca, G. C.,;, van Gisbergen, S. J. A.,;, Snijders, J. G.,;, Ziegler, T. J., Comp. Chem. 2001, 22, 931-967.
-
(2001)
Comp. Chem
, vol.22
, pp. 931-967
-
-
Te Velde, G.1
Bickelhaupt, F.M.2
Baerends, E.J.3
Fonseca, G.C.4
Van Gisbergen, S.J.A.5
Snijders, J.G.6
Ziegler, T.J.7
-
14
-
-
33645898818
-
-
Perdew, J. P.,;, Wang, Y., Phys Rev B 1992, 45, 13244-13249.
-
(1992)
Phys Rev B
, vol.45
, pp. 13244-13249
-
-
Perdew, J.P.1
Wang, Y.2
-
15
-
-
5444275289
-
-
Sun, G.,;, Voigt, J. H.,;, Filippov, I. V.,;, Marquez, V. E.,;, Nicklaus, M. C., J Chem Inf Comput Sci 2004, 44, 1752-1762.
-
(2004)
J Chem Inf Comput Sci
, vol.44
, pp. 1752-1762
-
-
Sun, G.1
Voigt, J.H.2
Filippov, I.V.3
Marquez, V.E.4
Nicklaus, M.C.5
-
16
-
-
79959190033
-
-
Gaussian, Inc., Wallingford CT
-
Gaussian 09, Revision D.01, Frisch, M. J.,;, Trucks, G. W.,;, Schlegel, H. B.,;, Scuseria, G. E.,;, Robb, M. A.,;, Cheeseman, J. R.,;, Scalmani, G.,;, Barone, V.,;, Mennucci, B.,;, Petersson, G. A.,;, Nakatsuji, H.,;, Caricato, M.,;, Li, X.,;, Hratchian, H. P.,;, Izmaylov, A. F.,;, Bloino, J.,;, Zheng, G.,;, Sonnenberg, J. L.,;, Hada, M.,;, Ehara, M.,;, Toyota, K.,;, Fukuda, R.,;, Hasegawa, J.,;, Ishida, M.,;, Nakajima, T.,;, Honda, Y.,;, Kitao, O.,;, Nakai, H.,;, Vreven, T.,;, Montgomery, J. A., Jr.,;, Peralta, J. E.,;, Ogliaro, F.,;, Bearpark, M.,;, Heyd, J. J.,;, Brothers, E.,;, Kudin, K. N.,;, Staroverov, V. N.,;, Kobayashi, R.,;, Normand, J.,;, Raghavachari, K.,;, Rendell, A.,;, Burant, J. C.,;, Iyengar, S. S.,;, Tomasi, J.,;, Cossi, M.,;, Rega, N.,;, Millam, N. J.,;, Klene, M.,;, Knox, J. E.,;, Cross, J. B.,;, Bakken, V.,;, Adamo, C.,;, Jaramillo, J.,;, Gomperts, R.,;, Stratmann, R. E.,;, Yazyev, O.,;, Austin, A. J.,;, Cammi, R.,;, Pomelli, C.,;, Ochterski, J. W.,;, Martin, R. L.,;, Morokuma, K.,;, Zakrzewski, V. G.,;, Voth, G. A.,;, Salvador, P.,;, Dannenberg, J. J.,;, Dapprich, S.,;, Daniels, A. D.,;, Farkas, Ö.,;, Foresman, J. B.,;, Ortiz, J. V.,;, Cioslowski, J.,;, Fox, D. J., Gaussian, Inc., Wallingford CT, 2009.
-
(2009)
Gaussian 09, Revision D.01
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery, Jr.J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
Brothers, E.35
Kudin, K.N.36
Staroverov, V.N.37
Kobayashi, R.38
Normand, J.39
Raghavachari, K.40
Rendell, A.41
Burant, J.C.42
Iyengar, S.S.43
Tomasi, J.44
Cossi, M.45
Rega, N.46
Millam, N.J.47
Klene, M.48
Knox, J.E.49
Cross, J.B.50
Bakken, V.51
Adamo, C.52
Jaramillo, J.53
Gomperts, R.54
Stratmann, R.E.55
Yazyev, O.56
Austin, A.J.57
Cammi, R.58
Pomelli, C.59
Ochterski, J.W.60
Martin, R.L.61
Morokuma, K.62
Zakrzewski, V.G.63
Voth, G.A.64
Salvador, P.65
Dannenberg, J.J.66
Dapprich, S.67
Daniels, A.D.68
Farkas, Ö.69
Foresman, J.B.70
Ortiz, J.V.71
Cioslowski, J.72
Fox, D.J.73
more..
-
17
-
-
0022651289
-
-
Poltev, V. I.,;, Shulyupina, N. V., J Biomol Struct Dyn 1986, 3, 739-765.
-
(1986)
J Biomol Struct Dyn
, vol.3
, pp. 739-765
-
-
Poltev, V.I.1
Shulyupina, N.V.2
-
18
-
-
0036832830
-
-
Poltev, V. I.,;, Deryabina, A. S.,;, Gonzalez, E.,;, Grokhlina, T. I., Biofizika 2002, 47, 996-1004.
-
(2002)
Biofizika
, vol.47
, pp. 996-1004
-
-
Poltev, V.I.1
Deryabina, A.S.2
Gonzalez, E.3
Grokhlina, T.I.4
-
19
-
-
0343213055
-
-
Hobza, P.,;, Kabelac, M.,;, Šponer, J.,;, Mejzlik P.,;, Vondrasek J., J Comput Chem 1997, 18, 1136-1150.
-
(1997)
J Comput Chem
, vol.18
, pp. 1136-1150
-
-
Hobza, P.1
Kabelac, M.2
Šponer, J.3
Mejzlik, P.4
Vondrasek, J.5
-
20
-
-
33645326510
-
-
Šponer, J.,;, Jurecka, P.,;, Marchan, I.,;, Luque, F.J.,;, Orozco, M.,;, Hobza, P., Chem Eur J 2006, 12, 2854-2865.
-
(2006)
Chem Eur J
, vol.12
, pp. 2854-2865
-
-
Šponer, J.1
Jurecka, P.2
Marchan, I.3
Luque, F.J.4
Orozco, M.5
Hobza, P.6
-
21
-
-
35949000997
-
-
AMBER9
-
AMBER9, Users Manual 2006, Available at: http://ambermd.org/doc9/amber9. pdf.
-
(2006)
Users Manual
-
-
-
22
-
-
49149093021
-
-
Svozil, D.,;, Šponer, J. E.,;, Marchan, I.,;, Pérez, A.,;, Cheatham III, T. E.,;, Forti, F.,;, Luque, F. J.,;, Orozco, M.,;, Šponer, J., J Phys Chem B 2008, 112, 8188-8197.
-
(2008)
J Phys Chem B
, vol.112
, pp. 8188-8197
-
-
Svozil, D.1
Šponer, J.E.2
Marchan, I.3
Pérez, A.4
Cheatham III, T.E.5
Forti, F.6
Luque, F.J.7
Orozco, M.8
Šponer, J.9
-
23
-
-
0001824401
-
-
Sarma, R. H. Sarma, M. H. Eds. Adenine Press, Albany, NY
-
Dickerson, R. E., In Structure, Motion, Interaction and Expression of Biological Macromolecules;, Sarma, R. H.,;, Sarma, M. H., Eds. Adenine Press, Albany, NY, 1998; Volume 1, pp 17-36.
-
(1998)
Structure, Motion, Interaction and Expression of Biological Macromolecules
, vol.1
, pp. 17-36
-
-
Dickerson, R.E.1
-
24
-
-
11144354105
-
-
Abrescia, N. G. A.,;, Gonzalez, C.,;, Gouyette, C.,;, Subirana, J. A., Biochemistry 2004, 43, 4092-4100.
-
(2004)
Biochemistry
, vol.43
, pp. 4092-4100
-
-
Abrescia, N.G.A.1
Gonzalez, C.2
Gouyette, C.3
Subirana, J.A.4
-
26
-
-
33947470407
-
-
Felsenfeld, G.,;, Davies, D. R.,;, Rich, A., J Am Chem Soc 1957, 79, 2023-2024.
-
(1957)
J Am Chem Soc
, vol.79
, pp. 2023-2024
-
-
Felsenfeld, G.1
Davies, D.R.2
Rich, A.3
-
27
-
-
0029066768
-
-
Frank-Kamenetskii, M. D.,;, Mirkin, S. M., Annu Rev Biochem 1995, 64, 65-95.
-
(1995)
Annu Rev Biochem
, vol.64
, pp. 65-95
-
-
Frank-Kamenetskii, M.D.1
Mirkin, S.M.2
-
28
-
-
77950484709
-
-
Kitayner, M.,;, Rozenberg, H.,;, Rohs, R.,;, Suad, O.,;, Rabinovich, D.,;, Honig, B.,;, Shakked, Z., Nat Struct Mol Biol 2010, 17, 423-429.
-
(2010)
Nat Struct Mol Biol
, vol.17
, pp. 423-429
-
-
Kitayner, M.1
Rozenberg, H.2
Rohs, R.3
Suad, O.4
Rabinovich, D.5
Honig, B.6
Shakked, Z.7
-
29
-
-
79952177284
-
-
Nikolova, E. N.,;, Kim, E.,;, Wise, A. A.,;, O'Brien, P. J.,;, Andricioaei, I.,;, Al-Hashimi, H. M., Nature 2011, 470, 498-504.
-
(2011)
Nature
, vol.470
, pp. 498-504
-
-
Nikolova, E.N.1
Kim, E.2
Wise, A.A.3
O'Brien, P.J.4
Andricioaei, I.5
Al-Hashimi, H.M.6
-
30
-
-
84884945440
-
-
Nikolova, E. N.,;, Zhou, H.,;, Gottardo, F. L.,;, Alvey, H. S.,;, Kimsey, I. J.,;, Al-Hashimi, H. M., Biopolymers, 2013, 99, 955-968.
-
(2013)
Biopolymers
, vol.99
, pp. 955-968
-
-
Nikolova, E.N.1
Zhou, H.2
Gottardo, F.L.3
Alvey, H.S.4
Kimsey, I.J.5
Al-Hashimi, H.M.6
-
31
-
-
4243943295
-
-
Perdew, J. P.,;, Burke, K.,;, Ernzerhof, M., Phys Rev Lett 1996, 77, 3865-3868.
-
(1996)
Phys Rev Lett
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
32
-
-
34548585570
-
-
Riley, K. E.,;, Hobza, P., J Phys Chem A 2007, 111, 8257-8263.
-
(2007)
J Phys Chem A
, vol.111
, pp. 8257-8263
-
-
Riley, K.E.1
Hobza, P.2
-
33
-
-
84884944777
-
-
Šponer, J,;, Šponer, J. E.,;, Mládek, A,;, Jurečka, P,;, Banáš, P,;, Otyepka, M,; Biopolymers, 2013, 99, 978-988.
-
(2013)
Biopolymers
, vol.99
, pp. 978-988
-
-
Šponer, J.1
Šponer, J.E.2
Mládek, A.3
Jurečka, P.4
Banáš, P.5
Otyepka, M.6
-
34
-
-
33745949151
-
-
Wang, S.,;, Schaefer, H. F., J Chem Phys 2006, 124, 044303.
-
(2006)
J Chem Phys
, vol.124
, pp. 044303
-
-
Wang, S.1
Schaefer, H.F.2
|