-
1
-
-
44349113144
-
-
M. P. H. Stumpf, T. Thorne, E. de Silva, R. Stewart, H. J. An, M. Lappe, C. Wiuf, Proc. Natl. Acad. Sci. USA 2008, 105, 6959-6964.
-
(2008)
Proc. Natl. Acad. Sci. USA
, vol.105
, pp. 6959-6964
-
-
Thorne, T.1
De Silva, E.2
Stewart, R.3
An, H.J.4
Lappe, M.5
Wiuf, C.6
Stumpf, M.P.H.7
-
3
-
-
33846662867
-
-
J. M. Davis, L. K. Tsou, A. D. Hamilton, Chem. Soc. Rev. 2007, 36, 326-334.
-
(2007)
Chem. Soc. Rev.
, vol.36
, pp. 326-334
-
-
Davis, J.M.1
Tsou, L.K.2
Hamilton, A.D.3
-
4
-
-
0037452709
-
-
M. R. Arkin, M. Randal, W. L. DeLano, J. Hyde, T. N. Luong, J. D. Oslob, D. R. Raphael, L. Taylor, J. Wang, R. S. McDowell, J. A. Wells, A. C. Braisted, Proc. Natl. Acad. Sci. USA 2003, 100, 1603-1608.
-
(2003)
Proc. Natl. Acad. Sci. USA
, vol.100
, pp. 1603-1608
-
-
Arkin, M.R.1
Randal, M.2
Delano, W.L.3
Hyde, J.4
Luong, T.N.5
Oslob, J.D.6
Raphael, D.R.7
Taylor, L.8
Wang, J.9
McDowell, R.S.10
Wells, J.A.11
Braisted, A.C.12
-
7
-
-
34548779127
-
-
M. J. Ramos, I. S. Moreira, P. A. Fernandes, Proteins Struct., Funct., Bioinf. 2007, 68, 803-812.
-
(2007)
Proteins Struct., Funct., Bioinf.
, vol.68
, pp. 803-812
-
-
Ramos, M.J.1
Moreira, I.S.2
Fernandes, P.A.3
-
8
-
-
0034213559
-
-
R. Nussinov, Z. J. Hu, B. Y. Ma, H. Wolfson, Proteins Struct., Funct., Genet. 2000, 39, 331-342.
-
(2000)
Proteins Struct., Funct., Genet.
, vol.39
, pp. 331-342
-
-
Nussinov, R.1
Hu, Z.J.2
Ma, B.Y.3
Wolfson, H.4
-
10
-
-
77956398004
-
-
R. Nussinov, S. E. A. Ozbabacan, A. Gursoy, O. Keskin, Curr. Opin. Drug Discovery Dev. 2010, 13, 527-537.
-
(2010)
Curr. Opin. Drug Discovery Dev.
, vol.13
, pp. 527-537
-
-
Nussinov, R.1
Ozbabacan, S.E.A.2
Gursoy, A.3
Keskin, O.4
-
11
-
-
84857291408
-
-
A. Metz, C. Pfleger, H. Kopitz, S. Pfeiffer-Marek, K.-H. Baringhaus, H. Gohlke, J. Chem. Inf. Comput. Sci. 2012, 52, 120-133.
-
(2012)
J. Chem. Inf. Comput. Sci.
, vol.52
, pp. 120-133
-
-
Metz, A.1
Pfleger, C.2
Kopitz, H.3
Pfeiffer-Marek, S.4
Baringhaus, K.-H.5
Gohlke, H.6
-
14
-
-
79960524750
-
-
E. Ko, J. Liu, K. Burgess, Chem. Soc. Rev. 2011, 40, 4411-4421.
-
(2011)
Chem. Soc. Rev.
, vol.40
, pp. 4411-4421
-
-
Ko, E.1
Liu, J.2
Burgess, K.3
-
15
-
-
79851500285
-
-
E. Ko, J. Liu, L. M. Perez, G. L. Lu, A. Schaefer, K. Burgess, J. Am. Chem. Soc. 2011, 133, 462-477.
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 462-477
-
-
Ko, E.1
Liu, J.2
Perez, L.M.3
Lu, G.L.4
Schaefer, A.5
Burgess, K.6
-
17
-
-
0029972738
-
-
D. C. Horwell, W. Howson, G. S. Ratcliffe, H. M. G. Willems, Bioorg. Med. Chem. 1996, 4, 33-42.
-
(1996)
Bioorg. Med. Chem.
, vol.4
, pp. 33-42
-
-
Horwell, D.C.1
Howson, W.2
Ratcliffe, G.S.3
Willems, H.M.G.4
-
18
-
-
13944274061
-
-
B. L. Grasberger, T. B. Lu, C. Schubert, D. J. Parks, T. E. Carver, H. K. Koblish, M. D. Cummings, L. V. LaFrance, K. L. Milkiewicz, R. R. Calvo, D. Maguire, J. Lattanze, C. F. Franks, S. Y. Zhao, K. Ramachandren, G. R. Bylebyl, M. Zhang, C. L. Manthey, E. C. Petrella, M. W. Pantoliano, I. C. Deckman, J. C. Spurlino, A. C. Maroney, B. E. Tomczuk, C. J. Molloy, R. F. Bone, J. Med. Chem. 2005, 48, 909-912.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 909-912
-
-
Grasberger, B.L.1
Lu, T.B.2
Schubert, C.3
Parks, D.J.4
Carver, T.E.5
Koblish, H.K.6
Cummings, M.D.7
Lafrance, L.V.8
Milkiewicz, K.L.9
Calvo, R.R.10
Maguire, D.11
Lattanze, J.12
Franks, C.F.13
Zhao, S.Y.14
Ramachandren, K.15
Bylebyl, G.R.16
Zhang, M.17
Manthey, C.L.18
Petrella, E.C.19
Pantoliano, M.W.20
Deckman, I.C.21
Spurlino, J.C.22
Maroney, A.C.23
Tomczuk, B.E.24
Molloy, C.J.25
Bone, R.F.26
more..
-
19
-
-
0000613867
-
-
J. T. Ernst, O. Kutzki, A. K. Debnath, S. Jiang, H. Lu, A. D. Hamilton, Angew. Chem. 2002, 114, 288-291;
-
(2002)
Angew. Chem.
, vol.114
, pp. 288-291
-
-
Ernst, J.T.1
Kutzki, O.2
Debnath, A.K.3
Jiang, S.4
Lu, H.5
Hamilton, A.D.6
-
21
-
-
22944431902
-
-
H. Yin, G. I. Lee, K. A. Sedey, O. Kutzki, H. S. Park, B. P. Omer, J. T. Ernst, H. G. Wang, S. M. Sebti, A. D. Hamilton, J. Am. Chem. Soc. 2005, 127, 10191-10196.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 10191-10196
-
-
Yin, H.1
Lee, G.I.2
Sedey, K.A.3
Kutzki, O.4
Park, H.S.5
Omer, B.P.6
Ernst, J.T.7
Wang, H.G.8
Sebti, S.M.9
Hamilton, A.D.10
-
22
-
-
0037048711
-
-
O. Kutzki, H. S. Park, J. T. Ernst, B. P. Orner, H. Yin, A. D. Hamilton, J. Am. Chem. Soc. 2002, 124, 11838-11839.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 11838-11839
-
-
Kutzki, O.1
Park, H.S.2
Ernst, J.T.3
Orner, B.P.4
Yin, H.5
Hamilton, A.D.6
-
23
-
-
22144443750
-
-
H. Yin, G. I. Lee, H. S. Park, G. A. Payne, J. M. Rodriguez, S. M. Sebti, A. D. Hamilton, Angew. Chem. 2005, 117, 2764-2767;
-
(2005)
Angew. Chem.
, vol.117
, pp. 2764-2767
-
-
Yin, H.1
Lee, G.I.2
Park, H.S.3
Payne, G.A.4
Rodriguez, J.M.5
Sebti, S.M.6
Hamilton, A.D.7
-
24
-
-
18844423053
-
-
Angew. Chem. Int. Ed. 2005, 44, 2704-2707.
-
(2005)
Angew. Chem. Int. Ed.
, vol.44
, pp. 2704-2707
-
-
-
25
-
-
0034801374
-
-
B. P. Orner, J. T. Ernst, A. D. Hamilton, J. Am. Chem. Soc. 2001, 123, 5382-5383.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 5382-5383
-
-
Orner, B.P.1
Ernst, J.T.2
Hamilton, A.D.3
-
26
-
-
28844437779
-
-
J. M. Davis, A. Truong, A. D. Hamilton, Org. Lett. 2005, 7, 5405-5408.
-
(2005)
Org. Lett.
, vol.7
, pp. 5405-5408
-
-
Davis, J.M.1
Truong, A.2
Hamilton, A.D.3
-
27
-
-
77954858251
-
-
G. T. Bourne, D. J. Kuster, G. R. Marshall, Chem. Eur. J. 2010, 16, 8439-8445.
-
(2010)
Chem. Eur. J.
, vol.16
, pp. 8439-8445
-
-
Bourne, G.T.1
Kuster, D.J.2
Marshall, G.R.3
-
29
-
-
65549164451
-
-
J. M. Rodriguez, N. T. Ross, W. P. Katt, D. Dhar, G. I. Lee, A. D. Hamilton, ChemMedChem 2009, 4, 649-656.
-
(2009)
ChemMedChem
, vol.4
, pp. 649-656
-
-
Rodriguez, J.M.1
Ross, N.T.2
Katt, W.P.3
Dhar, D.4
Lee, G.I.5
Hamilton, A.D.6
-
31
-
-
36549056638
-
-
Angew. Chem. Int. Ed. 2007, 46, 8614-8617.
-
(2007)
Angew. Chem. Int. Ed.
, vol.46
, pp. 8614-8617
-
-
-
32
-
-
53749097218
-
-
L. Moisan, S. Odermatt, N. Gombosuren, A. Carella, J. Rebek, Eur. J. Org. Chem. 2008, 1673-1676.
-
(2008)
Eur. J. Org. Chem.
, pp. 1673-1676
-
-
Moisan, L.1
Odermatt, S.2
Gombosuren, N.3
Carella, A.4
Rebek, J.5
-
33
-
-
34447509585
-
-
S. M. Biros, L. Moisan, E. Mann, A. Carella, D. Zhai, J. C. Reed, J. Rebek, Bioorg. Med. Chem. Lett. 2007, 17, 4641-4645.
-
(2007)
Bioorg. Med. Chem. Lett.
, vol.17
, pp. 4641-4645
-
-
Biros, S.M.1
Moisan, L.2
Mann, E.3
Carella, A.4
Zhai, D.5
Reed, J.C.6
Rebek, J.7
-
36
-
-
65549118222
-
-
J. M. Rodriguez, L. Nevola, N. T. Ross, G. I. Lee, A. D. Hamilton, ChemBioChem 2009, 10, 829-833.
-
(2009)
ChemBioChem
, vol.10
, pp. 829-833
-
-
Rodriguez, J.M.1
Nevola, L.2
Ross, N.T.3
Lee, G.I.4
Hamilton, A.D.5
-
37
-
-
70349549456
-
-
I. Saraogi, C. D. Incarvito, A. D. Hamilton, Angew. Chem. 2008, 120, 9837-9840;
-
(2008)
Angew. Chem.
, vol.120
, pp. 9837-9840
-
-
Saraogi, I.1
Incarvito, C.D.2
Hamilton, A.D.3
-
38
-
-
57049188285
-
-
Angew. Chem. Int. Ed. 2008, 47, 9691-9694.
-
(2008)
Angew. Chem. Int. Ed.
, vol.47
, pp. 9691-9694
-
-
-
39
-
-
33745737798
-
-
H. Oguri, S. Tanabe, A. Oomura, M. Umetsu, M. Hirama, Tetrahedron Lett. 2006, 47, 5801-5805.
-
(2006)
Tetrahedron Lett.
, vol.47
, pp. 5801-5805
-
-
Oguri, H.1
Tanabe, S.2
Oomura, A.3
Umetsu, M.4
Hirama, M.5
-
40
-
-
84861792816
-
-
Diploma Thesis, Goethe-University Frankfurt (D)
-
C. Pinto Gomes, Diploma Thesis, Goethe-University Frankfurt (D), 2007.
-
(2007)
-
-
Pinto Gomes, C.1
-
42
-
-
0043245780
-
-
H. Gohlke, C. Kiel, D. A. Case, J. Mol. Biol. 2003, 330, 891-913.
-
(2003)
J. Mol. Biol.
, vol.330
, pp. 891-913
-
-
Gohlke, H.1
Kiel, C.2
Case, D.A.3
-
43
-
-
0032560959
-
-
J. Srinivasan, T. E. Cheatham, P. Cieplak, P. A. Kollman, D. A. Case, J. Am. Chem. Soc. 1998, 120, 9401-9409.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 9401-9409
-
-
Srinivasan, J.1
Cheatham, T.E.2
Cieplak, P.3
Kollman, P.A.4
Case, D.A.5
-
44
-
-
0034521981
-
-
P. A. Kollman, I. Massova, C. Reyes, B. Kuhn, S. H. Huo, L. Chong, M. Lee, T. Lee, Y. Duan, W. Wang, O. Donini, P. Cieplak, J. Srinivasan, D. A. Case, T. E. Cheatham, Acc. Chem. Res. 2000, 33, 889-897.
-
(2000)
Acc. Chem. Res.
, vol.33
, pp. 889-897
-
-
Kollman, P.A.1
Massova, I.2
Reyes, C.3
Kuhn, B.4
Huo, S.H.5
Chong, L.6
Lee, M.7
Lee, T.8
Duan, Y.9
Wang, W.10
Donini, O.11
Cieplak, P.12
Srinivasan, J.13
Case, D.A.14
Cheatham, T.E.15
-
46
-
-
0028882816
-
-
J. S. Albert, M. S. Goodman, A. D. Hamilton, J. Am. Chem. Soc. 1995, 117, 1143-1144.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 1143-1144
-
-
Albert, J.S.1
Goodman, M.S.2
Hamilton, A.D.3
-
47
-
-
0342327314
-
-
J. S. Albert, M. W. Peczuh, A. D. Hamilton, Bioorg. Med. Chem. 1997, 5, 1455-1467.
-
(1997)
Bioorg. Med. Chem.
, vol.5
, pp. 1455-1467
-
-
Albert, J.S.1
Peczuh, M.W.2
Hamilton, A.D.3
-
48
-
-
0033118907
-
-
R. S. Roy, A. M. Gehring, J. C. Milne, P. J. Belshaw, C. T. Walsh, Nat. Prod. Rep. 1999, 16, 249-263.
-
(1999)
Nat. Prod. Rep.
, vol.16
, pp. 249-263
-
-
Roy, R.S.1
Gehring, A.M.2
Milne, J.C.3
Belshaw, P.J.4
Walsh, C.T.5
-
50
-
-
33745697766
-
-
E. Biron, J. Chatterjee, H. Kessler, Org. Lett. 2006, 8, 2417-2420.
-
(2006)
Org. Lett.
, vol.8
, pp. 2417-2420
-
-
Biron, E.1
Chatterjee, J.2
Kessler, H.3
-
52
-
-
0028104478
-
-
R. M. Burk, T. S. Gac, M. B. Roof, Tetrahedron Lett. 1994, 35, 8111-8112.
-
(1994)
Tetrahedron Lett.
, vol.35
, pp. 8111-8112
-
-
Burk, R.M.1
Gac, T.S.2
Roof, M.B.3
-
53
-
-
33748931449
-
-
J. T. Lundquist IV, A. D. Satterfield, J. C. Pelletier, Org. Lett. 2006, 8, 3915-3918.
-
(2006)
Org. Lett.
, vol.8
, pp. 3915-3918
-
-
Lundquist, I.V.J.T.1
Satterfield, A.D.2
Pelletier, J.C.3
-
54
-
-
2942532422
-
-
J. M. Wang, R. M. Wolf, J. W. Caldwell, P. A. Kollman, D. A. Case, J. Comput. Chem. 2004, 25, 1157-1174.
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1157-1174
-
-
Wang, J.M.1
Wolf, R.M.2
Caldwell, J.W.3
Kollman, P.A.4
Case, D.A.5
-
55
-
-
0038626673
-
-
Gaussian, Inc., Wallingford, CT
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. J. A. Montgomery, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian 03, Gaussian, Inc., Wallingford, CT, 2004.
-
(2004)
Gaussian 03
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, J.J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
56
-
-
23444454552
-
-
D. A. Case, T. E. Cheatham, T. Darden, H. Gohlke, R. Luo, K. M. Merz, A. Onufriev, C. Simmerling, B. Wang, R. J. Woods, J. Comput. Chem. 2005, 26, 1668-1688.
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 1668-1688
-
-
Case, D.A.1
Cheatham, T.E.2
Darden, T.3
Gohlke, H.4
Luo, R.5
Merz, K.M.6
Onufriev, A.7
Simmerling, C.8
Wang, B.9
Woods, R.J.10
-
57
-
-
84986516411
-
-
P. Cieplak, W. D. Cornell, C. Bayly, P. A. Kollman, J. Comput. Chem. 1995, 16, 1357-1377.
-
(1995)
J. Comput. Chem.
, vol.16
, pp. 1357-1377
-
-
Cieplak, P.1
Cornell, W.D.2
Bayly, C.3
Kollman, P.A.4
-
59
-
-
62849112750
-
-
R. Mannhold, G. I. Poda, C. Ostermann, I. V. Tetko, J. Pharm. Sci. 2009, 98, 861-893.
-
(2009)
J. Pharm. Sci.
, vol.98
, pp. 861-893
-
-
Mannhold, R.1
Poda, G.I.2
Ostermann, C.3
Tetko, I.V.4
-
60
-
-
84861794539
-
-
R. Mannhold, G. I. Poda, C. Ostermann, I. V. Tetko, Chem. Biodiversity 2009, 6, 1837-1844.
-
(2009)
Chem. Biodiversity
, vol.6
, pp. 1837-1844
-
-
Mannhold, R.1
Poda, G.I.2
Ostermann, C.3
Tetko, I.V.4
-
62
-
-
0029878720
-
-
W. Humphrey, A. Dalke, K. Schulten, J. Mol. Graphics 1996, 14, 33-38.
-
(1996)
J. Mol. Graphics
, vol.14
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
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