-
1
-
-
8844263008
-
-
Kitchen, D. B.; Decornez, H.; Furr, J. R.; Bajorath, J. Nat. Rev. Drug Discovery 2004, 3 (11) 935-949
-
(2004)
Nat. Rev. Drug Discovery
, vol.3
, Issue.11
, pp. 935-949
-
-
Kitchen, D.B.1
Decornez, H.2
Furr, J.R.3
Bajorath, J.4
-
2
-
-
80053308905
-
-
Novikov, F. N.; Zeifman, A. A.; Stroganov, O. V.; Stroylov, V. S.; Kulkov, V.; Chilov, G. G. J. Chem. Inf. Model. 2011, 51 (9) 2090-2096
-
(2011)
J. Chem. Inf. Model.
, vol.51
, Issue.9
, pp. 2090-2096
-
-
Novikov, F.N.1
Zeifman, A.A.2
Stroganov, O.V.3
Stroylov, V.S.4
Kulkov, V.5
Chilov, G.G.6
-
6
-
-
0242696091
-
-
Brandsdal, B. O.; Osterberg, F.; Almlof, M.; Feierberg, I.; Luzhkov, V. B.; Aqvist, J. Adv. Protein Chem. 2003, 66, 123-158
-
(2003)
Adv. Protein Chem.
, vol.66
, pp. 123-158
-
-
Brandsdal, B.O.1
Osterberg, F.2
Almlof, M.3
Feierberg, I.4
Luzhkov, V.B.5
Aqvist, J.6
-
7
-
-
29544447433
-
-
Jorgensen, W. L.; Ruiz-Caro, J.; Tirado-Rives, J.; Basavapathruni, A.; Anderson, K. S.; Hamilton, A. D. Bioorg. Med. Chem. Lett. 2006, 16 (3) 663-667
-
(2006)
Bioorg. Med. Chem. Lett.
, vol.16
, Issue.3
, pp. 663-667
-
-
Jorgensen, W.L.1
Ruiz-Caro, J.2
Tirado-Rives, J.3
Basavapathruni, A.4
Anderson, K.S.5
Hamilton, A.D.6
-
8
-
-
47749137452
-
-
Zeevaart, J. G.; Wang, L.; Thakur, V. V.; Leung, C. S.; Tirado-Rives, J.; Bailey, C. M.; Domaoal, R. A.; Anderson, K. S.; Jorgensen, W. L. J. Am. Chem. Soc. 2008, 130 (29) 9492-9499
-
(2008)
J. Am. Chem. Soc.
, vol.130
, Issue.29
, pp. 9492-9499
-
-
Zeevaart, J.G.1
Wang, L.2
Thakur, V.V.3
Leung, C.S.4
Tirado-Rives, J.5
Bailey, C.M.6
Domaoal, R.A.7
Anderson, K.S.8
Jorgensen, W.L.9
-
9
-
-
77950916360
-
-
Mouchlis, V. D.; Mavromoustakos, T. M.; Kokotos, G. J. Comput.-Aided Mol. Des. 2010, 24 (2) 107-115
-
(2010)
J. Comput.-Aided Mol. Des.
, vol.24
, Issue.2
, pp. 107-115
-
-
Mouchlis, V.D.1
Mavromoustakos, T.M.2
Kokotos, G.3
-
10
-
-
78651315892
-
-
Luccarelli, J.; Michel, J.; Tirado-Rives, J.; Jorgensen, W. L. J. Chem. Theory Comput. 2010, 6 (12) 3850-3856
-
(2010)
J. Chem. Theory Comput.
, vol.6
, Issue.12
, pp. 3850-3856
-
-
Luccarelli, J.1
Michel, J.2
Tirado-Rives, J.3
Jorgensen, W.L.4
-
11
-
-
84857452205
-
-
Palma, P. N.; Bonifacio, M. J.; Loureiro, A. I.; Soares-da-Silva, P. J. Comput. Chem. 2012, 33 (9) 970-986
-
(2012)
J. Comput. Chem.
, vol.33
, Issue.9
, pp. 970-986
-
-
Palma, P.N.1
Bonifacio, M.J.2
Loureiro, A.I.3
Soares-Da-Silva, P.4
-
12
-
-
77955813570
-
-
Lawrenz, M.; Wereszczynski, J.; Amaro, R.; Walker, R.; Roitberg, A.; McCammon, J. A. Proteins 2010, 78 (11) 2523-2532
-
(2010)
Proteins
, vol.78
, Issue.11
, pp. 2523-2532
-
-
Lawrenz, M.1
Wereszczynski, J.2
Amaro, R.3
Walker, R.4
Roitberg, A.5
McCammon, J.A.6
-
16
-
-
33846202056
-
-
Li, H. Z.; Fajer, M.; Yang, W. J. Chem. Phys. 2007, 127 (2) 024106
-
(2007)
J. Chem. Phys.
, vol.127
, Issue.2
, pp. 024106
-
-
Li, H.Z.1
Fajer, M.2
Yang, W.3
-
17
-
-
34247266675
-
-
Min, D. H.; Li, H. Z.; Li, G. H.; Bitetti-Putzer, R.; Yang, W. J. Chem. Phys. 2007, 126 (14) 144109
-
(2007)
J. Chem. Phys.
, vol.126
, Issue.14
, pp. 144109
-
-
Min, D.H.1
Li, H.Z.2
Li, G.H.3
Bitetti-Putzer, R.4
Yang, W.5
-
19
-
-
84863137873
-
-
Wang, L.; Berne, B. J.; Friesner, R. A. Proc. Natl. Acad. Sci. U.S.A. 2012, 109 (6) 1937-1942
-
(2012)
Proc. Natl. Acad. Sci. U.S.A.
, vol.109
, Issue.6
, pp. 1937-1942
-
-
Wang, L.1
Berne, B.J.2
Friesner, R.A.3
-
21
-
-
36049017659
-
-
Mobley, D. L.; Chodera, J. D.; Dill, K. A. J. Chem. Theory Comput. 2007, 3 (4) 1231-1235
-
(2007)
J. Chem. Theory Comput.
, vol.3
, Issue.4
, pp. 1231-1235
-
-
Mobley, D.L.1
Chodera, J.D.2
Dill, K.A.3
-
23
-
-
34547110591
-
-
Mobley, D. L.; Graves, A. P.; Chodera, J. D.; McReynolds, A. C.; Shoichet, B. K.; Dill, K. A. J. Mol. Biol. 2007, 371 (4) 1118-1134
-
(2007)
J. Mol. Biol.
, vol.371
, Issue.4
, pp. 1118-1134
-
-
Mobley, D.L.1
Graves, A.P.2
Chodera, J.D.3
McReynolds, A.C.4
Shoichet, B.K.5
Dill, K.A.6
-
24
-
-
84859577522
-
-
Zeifman, A. A.; Titov, I. Y.; Svitanko, I. V.; Rakitina, T. V.; Lipkin, A. V.; Stroylov, V. S.; Stroganov, O. V.; Novikov, F. N.; Chilov, G. G. Mendeleev Commun. 2012, 22 (2) 73-74
-
(2012)
Mendeleev Commun.
, vol.22
, Issue.2
, pp. 73-74
-
-
Zeifman, A.A.1
Titov, I.Y.2
Svitanko, I.V.3
Rakitina, T.V.4
Lipkin, A.V.5
Stroylov, V.S.6
Stroganov, O.V.7
Novikov, F.N.8
Chilov, G.G.9
-
25
-
-
77951002653
-
-
Friedberg, J. W.; Sharman, J.; Sweetenham, J.; Johnston, P. B.; Vose, J. M.; Lacasce, A.; Schaefer-Cutillo, J.; De Vos, S.; Sinha, R.; Leonard, J. P.; Cripe, L. D.; Gregory, S. A.; Sterba, M. P.; Lowe, A. M.; Levy, R.; Shipp, M. A. Blood 2010, 115 (13) 2578-2585
-
(2010)
Blood
, vol.115
, Issue.13
, pp. 2578-2585
-
-
Friedberg, J.W.1
Sharman, J.2
Sweetenham, J.3
Johnston, P.B.4
Vose, J.M.5
Lacasce, A.6
Schaefer-Cutillo, J.7
De Vos, S.8
Sinha, R.9
Leonard, J.P.10
Cripe, L.D.11
Gregory, S.A.12
Sterba, M.P.13
Lowe, A.M.14
Levy, R.15
Shipp, M.A.16
-
26
-
-
77957333252
-
-
Weinblatt, M. E.; Kavanaugh, A.; Genovese, M. C.; Musser, T. K.; Grossbard, E. B.; Magilavy, D. B. N. Engl. J. Med. 2010, 363 (14) 1303-1312
-
(2010)
N. Engl. J. Med.
, vol.363
, Issue.14
, pp. 1303-1312
-
-
Weinblatt, M.E.1
Kavanaugh, A.2
Genovese, M.C.3
Musser, T.K.4
Grossbard, E.B.5
Magilavy, D.B.6
-
27
-
-
61849088556
-
-
Villasenor, A. G.; Kondru, R.; Ho, H.; Wang, S.; Papp, E.; Shaw, D.; Barnett, J. W.; Browner, M. F.; Kuglstatter, A. Chem. Biol. Drug Des. 2009, 73 (4) 466-470
-
(2009)
Chem. Biol. Drug Des.
, vol.73
, Issue.4
, pp. 466-470
-
-
Villasenor, A.G.1
Kondru, R.2
Ho, H.3
Wang, S.4
Papp, E.5
Shaw, D.6
Barnett, J.W.7
Browner, M.F.8
Kuglstatter, A.9
-
28
-
-
27344454932
-
-
Van Der Spoel, D.; Lindahl, E.; Hess, B.; Groenhof, G.; Mark, A. E.; Berendsen, H. J. J. Comput. Chem. 2005, 26 (16) 1701-1718
-
(2005)
J. Comput. Chem.
, vol.26
, Issue.16
, pp. 1701-1718
-
-
Van Der Spoel, D.1
Lindahl, E.2
Hess, B.3
Groenhof, G.4
Mark, A.E.5
Berendsen, H.J.6
-
29
-
-
33748252631
-
-
Mobley, D. L.; Chodera, J. D.; Dill, K. A. J. Chem. Phys. 2006, 125 (8) 084902
-
(2006)
J. Chem. Phys.
, vol.125
, Issue.8
, pp. 084902
-
-
Mobley, D.L.1
Chodera, J.D.2
Dill, K.A.3
-
31
-
-
33751197936
-
-
Braselmann, S.; Taylor, V.; Zhao, H.; Wang, S.; Sylvain, C.; Baluom, M.; Qu, K.; Herlaar, E.; Lau, A.; Young, C.; Wong, B. R.; Lovell, S.; Sun, T.; Park, G.; Argade, A.; Jurcevic, S.; Pine, P.; Singh, R.; Grossbard, E. B.; Payan, D. G.; Masuda, E. S. J. Pharmacol. Exp. Ther. 2006, 319 (3) 998-1008
-
(2006)
J. Pharmacol. Exp. Ther.
, vol.319
, Issue.3
, pp. 998-1008
-
-
Braselmann, S.1
Taylor, V.2
Zhao, H.3
Wang, S.4
Sylvain, C.5
Baluom, M.6
Qu, K.7
Herlaar, E.8
Lau, A.9
Young, C.10
Wong, B.R.11
Lovell, S.12
Sun, T.13
Park, G.14
Argade, A.15
Jurcevic, S.16
Pine, P.17
Singh, R.18
Grossbard, E.B.19
Payan, D.G.20
Masuda, E.S.21
more..
-
32
-
-
0029912748
-
-
Jorgensen, W. L.; Maxwell, D. S.; Tirado-Rives, J. J. Am. Chem. Soc. 1996, 118 (45) 11225-11236
-
(1996)
J. Am. Chem. Soc.
, vol.118
, Issue.45
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
34
-
-
33748538349
-
-
Wang, J.; Wang, W.; Kollman, P. A.; Case, D. A. J. Mol. Graphics Modell. 2006, 25 (2) 247-260
-
(2006)
J. Mol. Graphics Modell.
, vol.25
, Issue.2
, pp. 247-260
-
-
Wang, J.1
Wang, W.2
Kollman, P.A.3
Case, D.A.4
-
36
-
-
0004016501
-
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. J. Chem. Phys. 1983, 79 (2) 926-935
-
(1983)
J. Chem. Phys.
, vol.79
, Issue.2
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
37
-
-
35948935283
-
-
Michel, J.; Verdonk, M. L.; Essex, J. W. J. Chem. Theory Comput. 2007, 3 (5) 1645-1655
-
(2007)
J. Chem. Theory Comput.
, vol.3
, Issue.5
, pp. 1645-1655
-
-
Michel, J.1
Verdonk, M.L.2
Essex, J.W.3
-
38
-
-
45949106612
-
-
Ma, H.; Deacon, S.; Horiuchi, K. Expert Opin. Drug Discovery 2008, 3 (6) 607-621
-
(2008)
Expert Opin. Drug Discovery
, vol.3
, Issue.6
, pp. 607-621
-
-
Ma, H.1
Deacon, S.2
Horiuchi, K.3
-
39
-
-
0024286073
-
-
Radzicka, A.; Pedersen, L.; Wolfenden, R. Biochemistry 1988, 27 (12) 4538-4541
-
(1988)
Biochemistry
, vol.27
, Issue.12
, pp. 4538-4541
-
-
Radzicka, A.1
Pedersen, L.2
Wolfenden, R.3
-
40
-
-
77950804843
-
-
Hu, X.; Zhang, W.; Carmichael, I.; Serianni, A. S. J. Am. Chem. Soc. 2010, 132 (13) 4641-4652
-
(2010)
J. Am. Chem. Soc.
, vol.132
, Issue.13
, pp. 4641-4652
-
-
Hu, X.1
Zhang, W.2
Carmichael, I.3
Serianni, A.S.4
|