-
2
-
-
0014105802
-
-
Biggley, W. H.; Lloyd, J. E.; Seliger, H. H. J. Gen. Physiol. 1967, 50, 1681-1692
-
(1967)
J. Gen. Physiol.
, vol.50
, pp. 1681-1692
-
-
Biggley, W.H.1
Lloyd, J.E.2
Seliger, H.H.3
-
4
-
-
37549048641
-
-
Ando, Y.; Niwa, K.; Yamada, N.; Enomoto, T.; Irie, T.; Kubota, H.; Ohmiya, Y.; Akiyama, H. Nat. Photonics 2007, 2, 44-47
-
(2007)
Nat. Photonics
, vol.2
, pp. 44-47
-
-
Ando, Y.1
Niwa, K.2
Yamada, N.3
Enomoto, T.4
Irie, T.5
Kubota, H.6
Ohmiya, Y.7
Akiyama, H.8
-
6
-
-
79961160329
-
-
White, E. H.; Rapaport, E.; Seliger, H. H.; Hopkins, T. A. Bioorg. Chem. 1971, 1, 91-122
-
(1971)
Bioorg. Chem.
, vol.1
, pp. 91-122
-
-
White, E.H.1
Rapaport, E.2
Seliger, H.H.3
Hopkins, T.A.4
-
7
-
-
0014498808
-
-
Morton, R. A.; Hopkins, T. A.; Seliger, H. H. Biochemistry 1969, 8, 1598-1607
-
(1969)
Biochemistry
, vol.8
, pp. 1598-1607
-
-
Morton, R.A.1
Hopkins, T.A.2
Seliger, H.H.3
-
8
-
-
0003634802
-
-
John Wiley and Sons: Chichester, U.K.
-
McCapra, F.; Gilfoyle, D. J.; Young, D. W.; Church, N. J.; Spencer, P.; Campbell, A. K.; Kricka, L. J.; Stanley, P. E. Bioluminescence and Chemiluminescence: Fundamental and Applied Aspects; John Wiley and Sons: Chichester, U.K., 1994.
-
(1994)
Bioluminescence and Chemiluminescence: Fundamental and Applied Aspects
-
-
McCapra, F.1
Gilfoyle, D.J.2
Young, D.W.3
Church, N.J.4
Spencer, P.5
Campbell, A.K.6
Kricka, L.J.7
Stanley, P.E.8
-
9
-
-
2942562205
-
-
Branchini, B. R.; Southworth, T. L.; Murtiashaw, M. H.; Magyar, R. A.; Gonzalez, S. A.; Ruggiero, M. C.; Stroh, J. G. Biochemistry 2004, 43, 7255-7262
-
(2004)
Biochemistry
, vol.43
, pp. 7255-7262
-
-
Branchini, B.R.1
Southworth, T.L.2
Murtiashaw, M.H.3
Magyar, R.A.4
Gonzalez, S.A.5
Ruggiero, M.C.6
Stroh, J.G.7
-
10
-
-
33645038011
-
-
Nakatsu, T.; Ichiyama, S.; Hiratake, J.; Saldanha, A.; Kobashi, N.; Sakata, K.; Kato, H. Nature 2006, 440, 372-376
-
(2006)
Nature
, vol.440
, pp. 372-376
-
-
Nakatsu, T.1
Ichiyama, S.2
Hiratake, J.3
Saldanha, A.4
Kobashi, N.5
Sakata, K.6
Kato, H.7
-
12
-
-
35348826634
-
-
Sheikh, A. Y.; Lin, S. A.; Cao, F.; Cao, Y.; van der Bogt, K. E.; Chu, P.; Chang, C. P.; Contag, C. H.; Robbins, R. C.; Wu, J. C. Stem Cells 2007, 25, 2677-2684
-
(2007)
Stem Cells
, vol.25
, pp. 2677-2684
-
-
Sheikh, A.Y.1
Lin, S.A.2
Cao, F.3
Cao, Y.4
Van Der Bogt, K.E.5
Chu, P.6
Chang, C.P.7
Contag, C.H.8
Robbins, R.C.9
Wu, J.C.10
-
13
-
-
0345700650
-
-
Theodossiou, T.; Hothersall, J. S.; Woods, E. A.; Okkenhaug, K.; Jacobson, J.; MacRobert, A. J. Cancer Res. 2003, 63, 1818-1821
-
(2003)
Cancer Res.
, vol.63
, pp. 1818-1821
-
-
Theodossiou, T.1
Hothersall, J.S.2
Woods, E.A.3
Okkenhaug, K.4
Jacobson, J.5
MacRobert, A.J.6
-
14
-
-
33746920338
-
-
Schipper, M. L.; Patel, M. R.; Gambhir, S. S. Mol. Imaging Biol. 2006, 8, 218-225
-
(2006)
Mol. Imaging Biol.
, vol.8
, pp. 218-225
-
-
Schipper, M.L.1
Patel, M.R.2
Gambhir, S.S.3
-
15
-
-
77958577878
-
-
Milne, B. F.; Marques, M. A.; Nogueira, F. Phys. Chem. Chem. Phys. 2010, 12, 14285-14293
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 14285-14293
-
-
Milne, B.F.1
Marques, M.A.2
Nogueira, F.3
-
17
-
-
77954786002
-
-
Min, C. G.; Ren, A. M.; Guo, J. F.; Zou, L. Y.; Goddard, J. D.; Sun, C. C. ChemPhysChem 2010, 11, 2199-2204
-
(2010)
ChemPhysChem
, vol.11
, pp. 2199-2204
-
-
Min, C.G.1
Ren, A.M.2
Guo, J.F.3
Zou, L.Y.4
Goddard, J.D.5
Sun, C.C.6
-
18
-
-
74949091138
-
-
Navizet, I.; Liu, Y. J.; Ferre, N.; Xiao, H. Y.; Fang, W. H.; Lindh, R. J. Am. Chem. Soc. 2010, 132, 706-712
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 706-712
-
-
Navizet, I.1
Liu, Y.J.2
Ferre, N.3
Xiao, H.Y.4
Fang, W.H.5
Lindh, R.6
-
19
-
-
62949085602
-
-
Tagami, A.; Ishibashi, N.; Kato, D.; Taguchi, N.; Mochizuki, Y.; Watanabe, H.; Ito, M.; Tanaka, S. Chem. Phys. Lett. 2009, 472, 118-123
-
(2009)
Chem. Phys. Lett.
, vol.472
, pp. 118-123
-
-
Tagami, A.1
Ishibashi, N.2
Kato, D.3
Taguchi, N.4
Mochizuki, Y.5
Watanabe, H.6
Ito, M.7
Tanaka, S.8
-
20
-
-
67849102207
-
-
Hirano, T.; Hasumi, Y.; Ohtsuka, K.; Maki, S.; Niwa, H.; Yamaji, M.; Hashizume, D. J. Am. Chem. Soc. 2009, 131, 2385-2396
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 2385-2396
-
-
Hirano, T.1
Hasumi, Y.2
Ohtsuka, K.3
Maki, S.4
Niwa, H.5
Yamaji, M.6
Hashizume, D.7
-
21
-
-
58149169038
-
-
Chung, L. W.; Hayashi, S.; Lundberg, M.; Nakatsu, T.; Kato, H.; Morokuma, K. J. Am. Chem. Soc. 2008, 130, 12880-12881
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 12880-12881
-
-
Chung, L.W.1
Hayashi, S.2
Lundberg, M.3
Nakatsu, T.4
Kato, H.5
Morokuma, K.6
-
22
-
-
38749088360
-
-
Liu, Y. J.; De Vico, L.; Lindh, R. J. Photochem. Photobiol. A 2008, 194, 261-267
-
(2008)
J. Photochem. Photobiol. A
, vol.194
, pp. 261-267
-
-
Liu, Y.J.1
De Vico, L.2
Lindh, R.3
-
26
-
-
68849087538
-
-
Naumov, P.; Ozawa, Y.; Ohkubo, K.; Fukuzumi, S. J. Am. Chem. Soc. 2009, 131, 11590-11605
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 11590-11605
-
-
Naumov, P.1
Ozawa, Y.2
Ohkubo, K.3
Fukuzumi, S.4
-
27
-
-
79952576501
-
-
Chen, S. F.; Liu, Y. J.; Navizet, I.; Ferre, N.; Fang, W. H.; Lindh, R. J. Chem. Theory Comput. 2011, 7, 798-803
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 798-803
-
-
Chen, S.F.1
Liu, Y.J.2
Navizet, I.3
Ferre, N.4
Fang, W.H.5
Lindh, R.6
-
28
-
-
0034645586
-
-
Granucci, G.; Hynes, J. T.; Millie, P.; Tran-Thi, T. H. J. Am. Chem. Soc. 2000, 122, 12243-12253
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 12243-12253
-
-
Granucci, G.1
Hynes, J.T.2
Millie, P.3
Tran-Thi, T.H.4
-
29
-
-
33845469255
-
-
Webb, S. P.; Yeh, S. W.; Philips, L. A.; Tolbert, M. A.; Clark, J. H. J. Am. Chem. Soc. 1984, 106, 7286-7288
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 7286-7288
-
-
Webb, S.P.1
Yeh, S.W.2
Philips, L.A.3
Tolbert, M.A.4
Clark, J.H.5
-
30
-
-
20944447380
-
-
Isobe, H.; Takano, Y.; Okumura, M.; Kuramitsu, S.; Yamaguchi, K. J. Am. Chem. Soc. 2005, 127, 8667-8679
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 8667-8679
-
-
Isobe, H.1
Takano, Y.2
Okumura, M.3
Kuramitsu, S.4
Yamaguchi, K.5
-
31
-
-
71549157460
-
-
Liu, F. Y.; Liu, Y. J.; De Vico, L.; Lindh, R. Chem. Phys. Lett. 2009, 484, 69-75
-
(2009)
Chem. Phys. Lett.
, vol.484
, pp. 69-75
-
-
Liu, F.Y.1
Liu, Y.J.2
De Vico, L.3
Lindh, R.4
-
32
-
-
0017414411
-
-
Shimomura, O.; Goto, T.; Johnson, F. H. Proc. Natl. Acad. Sci. U.S.A. 1977, 74, 2799-2802
-
(1977)
Proc. Natl. Acad. Sci. U.S.A.
, vol.74
, pp. 2799-2802
-
-
Shimomura, O.1
Goto, T.2
Johnson, F.H.3
-
33
-
-
0037070540
-
-
Branchini, B. R.; Murtiashaw, M. H.; Magyar, R. A.; Portier, N. C.; Ruggiero, M. C.; Stroh, J. G. J. Am. Chem. Soc. 2002, 124, 2112-2113
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 2112-2113
-
-
Branchini, B.R.1
Murtiashaw, M.H.2
Magyar, R.A.3
Portier, N.C.4
Ruggiero, M.C.5
Stroh, J.G.6
-
34
-
-
0037905684
-
-
Orlova, G.; Goddard, J. D.; Brovko, L. Y. J. Am. Chem. Soc. 2003, 125, 6962-6971
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 6962-6971
-
-
Orlova, G.1
Goddard, J.D.2
Brovko, L.Y.3
-
35
-
-
54849405354
-
-
Li, Z. W.; Ren, A. M.; Guo, J. F.; Yang, T.; Goddard, J. D.; Feng, J. K. J. Phys. Chem. A 2008, 112, 9796-9800
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 9796-9800
-
-
Li, Z.W.1
Ren, A.M.2
Guo, J.F.3
Yang, T.4
Goddard, J.D.5
Feng, J.K.6
-
36
-
-
70249103205
-
-
Liu, F.; Liu, Y.; De Vico, L.; Lindh, R. J. Am. Chem. Soc. 2009, 131, 6181-6188
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 6181-6188
-
-
Liu, F.1
Liu, Y.2
De Vico, L.3
Lindh, R.4
-
37
-
-
34848831576
-
-
KrishnaMurthy, N. V.; Sudhaharan, T.; Reddy, A. R. Spectrochim. Acta, Part A 2007, 68, 851-859
-
(2007)
Spectrochim. Acta, Part A
, vol.68
, pp. 851-859
-
-
Krishnamurthy, N.V.1
Sudhaharan, T.2
Reddy, A.R.3
-
38
-
-
79961159945
-
-
Here, a physiological condition means a situation in which OLU, luciferase, and charge-neutralizing counterions are present and the temperature and pressure are set to ambient conditions
-
Here, a physiological condition means a situation in which OLU, luciferase, and charge-neutralizing counterions are present and the temperature and pressure are set to ambient conditions.
-
-
-
-
39
-
-
46249092554
-
-
Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. J. Chem. Theory Comput. 2008, 4, 435-447
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 435-447
-
-
Hess, B.1
Kutzner, C.2
Van Der Spoel, D.3
Lindahl, E.4
-
40
-
-
84857106380
-
-
-". We will adopt this nonconventional notation as it simplifies our later discussion regarding its protonated states
-
-". We will adopt this nonconventional notation as it simplifies our later discussion regarding its protonated states.
-
-
-
-
42
-
-
79960215153
-
-
Park, J. W.; Kim, H. W.; Song, C.-I.; Rhee, Y. M. J. Chem. Phys. 2011, 135, 014107.
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 014107
-
-
Park, J.W.1
Kim, H.W.2
Song, C.-I.3
Rhee, Y.M.4
-
43
-
-
84988053694
-
-
Weiner, S. J.; Kollman, P. A.; Nguyen, D. T.; Case, D. A. J. Comput. Chem. 1986, 7, 230-252
-
(1986)
J. Comput. Chem.
, vol.7
, pp. 230-252
-
-
Weiner, S.J.1
Kollman, P.A.2
Nguyen, D.T.3
Case, D.A.4
-
45
-
-
33750587438
-
-
Berendsen, H. J. C.; Postma, J. P. M.; Gunsteren, W. F. v.; DiNola, A.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684-3690
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
W, V.F.G.3
Dinola, A.4
Haak, J.R.5
-
46
-
-
0000388705
-
-
Hess, B.; Bekker, H.; Berendsen, H. J. C.; Fraaije, J. G. E. M. J. Comput. Chem. 1997, 18, 1463-1472
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 1463-1472
-
-
Hess, B.1
Bekker, H.2
Berendsen, H.J.C.3
Fraaije, J.G.E.M.4
-
49
-
-
0000703066
-
-
Foresman, J. B.; Head-Gordon, M.; Pople, J. A.; Frisch, M. J. J. Phys. Chem. 1992, 96, 135-149
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 135-149
-
-
Foresman, J.B.1
Head-Gordon, M.2
Pople, J.A.3
Frisch, M.J.4
-
50
-
-
0001812255
-
-
Head-Gordon, M.; Rico, R. J.; Oumi, M.; Lee, T. J. Chem. Phys. Lett. 1994, 219, 21-29
-
(1994)
Chem. Phys. Lett.
, vol.219
, pp. 21-29
-
-
Head-Gordon, M.1
Rico, R.J.2
Oumi, M.3
Lee, T.J.4
-
52
-
-
0001177596
-
-
Roos, B. O.; Taylor, P. R.; Siegbahn, P. E. M. Chem. Phys. 1980, 48, 157-173
-
(1980)
Chem. Phys.
, vol.48
, pp. 157-173
-
-
Roos, B.O.1
Taylor, P.R.2
Siegbahn, P.E.M.3
-
56
-
-
34248354750
-
-
Rhee, Y. M.; Lee, T. J.; Gudipati, M. S.; Allamandola, L. J.; Head-Gordon, M. Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 5274-5278
-
(2007)
Proc. Natl. Acad. Sci. U.S.A.
, vol.104
, pp. 5274-5278
-
-
Rhee, Y.M.1
Lee, T.J.2
Gudipati, M.S.3
Allamandola, L.J.4
Head-Gordon, M.5
-
57
-
-
0012154673
-
-
Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1998, 109, 7764-7776
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 7764-7776
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Rassolov, V.4
Pople, J.A.5
-
58
-
-
60349127442
-
-
Senn, H. M.; Thiel, W. Angew. Chem., Int. Ed. 2009, 48, 1198-1229
-
(2009)
Angew. Chem., Int. Ed.
, vol.48
, pp. 1198-1229
-
-
Senn, H.M.1
Thiel, W.2
-
59
-
-
2342519355
-
-
Roos, B. O.; Lindh, R.; Malmqvist, P. A.; Veryazov, V.; Widmark, P. O. J. Phys. Chem. A 2004, 108, 2851-2858
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 2851-2858
-
-
Roos, B.O.1
Lindh, R.2
Malmqvist, P.A.3
Veryazov, V.4
Widmark, P.O.5
-
60
-
-
0032557323
-
-
Finley, J.; Malmqvist, P. A.; Roos, B. O.; Serrano-Andres, L. Chem. Phys. Lett. 1998, 288, 299-306
-
(1998)
Chem. Phys. Lett.
, vol.288
, pp. 299-306
-
-
Finley, J.1
Malmqvist, P.A.2
Roos, B.O.3
Serrano-Andres, L.4
-
64
-
-
0004245508
-
-
version 2009.1;, (a package of ab initio programs; see)
-
Werner, H.-J.; Knowles, P. J.; Lindh, R.; Manby, F. R.; Schütz, M. MOLPRO, version 2009.1; 2009, (a package of ab initio programs; see http://www.molpro.net).
-
(2009)
MOLPRO
-
-
Werner, H.-J.1
Knowles, P.J.2
Lindh, R.3
Manby, F.R.4
Schütz, M.5
-
65
-
-
79961140271
-
-
OLUH is a protonated keto species and should not be confused with enol
-
OLUH is a protonated keto species and should not be confused with enol.
-
-
-
-
66
-
-
77949521812
-
-
Min, C. G.; Ren, A. M.; Guo, J. F.; Li, Z. W.; Zou, L. Y.; Goddard, J. D.; Feng, J. K. ChemPhysChem 2010, 11, 251-259
-
(2010)
ChemPhysChem
, vol.11
, pp. 251-259
-
-
Min, C.G.1
Ren, A.M.2
Guo, J.F.3
Li, Z.W.4
Zou, L.Y.5
Goddard, J.D.6
Feng, J.K.7
-
67
-
-
77952212872
-
-
Kim, C. H.; Park, J.; Seo, J.; Park, S. Y.; Joo, T. J. Phys. Chem. A 2010, 114, 5618-5629
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 5618-5629
-
-
Kim, C.H.1
Park, J.2
Seo, J.3
Park, S.Y.4
Joo, T.5
-
68
-
-
77952688009
-
-
Toh, K. C.; Stojkovic, E. A.; van Stokkum, I. H.; Moffat, K.; Kennis, J. T. Proc. Natl. Acad. Sci. U.S.A. 2010, 107, 9170-9175
-
(2010)
Proc. Natl. Acad. Sci. U.S.A.
, vol.107
, pp. 9170-9175
-
-
Toh, K.C.1
Stojkovic, E.A.2
Van Stokkum, I.H.3
Moffat, K.4
Kennis, J.T.5
-
70
-
-
63849343239
-
-
Kaneko, S.; Yotoriyama, S.; Koda, H.; Tobita, S. J. Phys. Chem. A 2009, 113, 3021-3028
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 3021-3028
-
-
Kaneko, S.1
Yotoriyama, S.2
Koda, H.3
Tobita, S.4
-
71
-
-
78650624605
-
-
Gaigeot, M. P.; Cimas, A.; Seydou, M.; Kim, J. Y.; Lee, S.; Schermann, J. P. J. Am. Chem. Soc. 2010, 132, 18067-18077
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 18067-18077
-
-
Gaigeot, M.P.1
Cimas, A.2
Seydou, M.3
Kim, J.Y.4
Lee, S.5
Schermann, J.P.6
-
72
-
-
36348975051
-
-
+ and OLUH/Lys) can be described well within the single-reference regime, and comparison of the energies of the two sides can still be obtained reliably with our more practical approach. See
-
+ and OLUH/Lys) can be described well within the single-reference regime, and comparison of the energies of the two sides can still be obtained reliably with our more practical approach. See: Coe, J. D.; Levine, B. G.; Martinez, T. J. J. Phys. Chem. A 2007, 111, 11302-11310
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 11302-11310
-
-
Coe, J.D.1
Levine, B.G.2
Martinez, T.J.3
-
73
-
-
33750277808
-
-
Aquino, A. J.; Barbatti, M.; Lischka, H. ChemPhysChem 2006, 7, 2089-2096
-
(2006)
ChemPhysChem
, vol.7
, pp. 2089-2096
-
-
Aquino, A.J.1
Barbatti, M.2
Lischka, H.3
|