-
1
-
-
77957841701
-
Pharmacophore modeling and virtual screening studies for new VEGFR-2 kinase inhibitors
-
K. Lee, K.W. Jeong, Y. Lee, J.Y. Song, M.S. Kim, G.S. Lee, and Y. Kim Pharmacophore modeling and virtual screening studies for new VEGFR-2 kinase inhibitors European Journal of Medicinal Chemistry 45 2010 5420 5427
-
(2010)
European Journal of Medicinal Chemistry
, vol.45
, pp. 5420-5427
-
-
Lee, K.1
Jeong, K.W.2
Lee, Y.3
Song, J.Y.4
Kim, M.S.5
Lee, G.S.6
Kim, Y.7
-
2
-
-
67349173660
-
Structure-based virtual screening approach to identify novel classes of PTP1B inhibitors
-
H. Park, B.R. Bhattarai, S.W. Ham, and H. Cho Structure-based virtual screening approach to identify novel classes of PTP1B inhibitors European Journal of Medicinal Chemistry 44 2009 3280 3284
-
(2009)
European Journal of Medicinal Chemistry
, vol.44
, pp. 3280-3284
-
-
Park, H.1
Bhattarai, B.R.2
Ham, S.W.3
Cho, H.4
-
3
-
-
77958157879
-
Coupling of receptor conformation and ligand orientation determine graded activity
-
J.B. Bruning, A.A. Parent, G. Gil, M. Zhao, J. Nowak, M.C. Pace, C.L. Smith, P.V. Afonine, P.D. Adams, J.A. Katzenellenbogen, and K.W. Nettles Coupling of receptor conformation and ligand orientation determine graded activity Nature Chemical Biology 6 2010 837 843
-
(2010)
Nature Chemical Biology
, vol.6
, pp. 837-843
-
-
Bruning, J.B.1
Parent, A.A.2
Gil, G.3
Zhao, M.4
Nowak, J.5
Pace, M.C.6
Smith, C.L.7
Afonine, P.V.8
Adams, P.D.9
Katzenellenbogen, J.A.10
Nettles, K.W.11
-
4
-
-
65349195698
-
Molecular docking and ligand specificity in fragment-based inhibitor discovery
-
Y. Chen, and B.K. Shoichet Molecular docking and ligand specificity in fragment-based inhibitor discovery Nature Chemical Biology 5 2009 358 364
-
(2009)
Nature Chemical Biology
, vol.5
, pp. 358-364
-
-
Chen, Y.1
Shoichet, B.K.2
-
5
-
-
70349333853
-
Large-scale analysis of influenza A virus sequences reveals potential drug target sites of non-structural proteins
-
V. Darapaneni, V.K. Prabhaker, and A. Kukol Large-scale analysis of influenza A virus sequences reveals potential drug target sites of non-structural proteins Journal of General Virology 90 2009 2124 2133
-
(2009)
Journal of General Virology
, vol.90
, pp. 2124-2133
-
-
Darapaneni, V.1
Prabhaker, V.K.2
Kukol, A.3
-
6
-
-
79251524201
-
VoteDock: Consensus docking method for prediction of protein-ligand interactions
-
D. Plewczynski, M. Lazniewski, M. von Grotthuss, L. Rychlewski, and K. Ginalski VoteDock: consensus docking method for prediction of protein-ligand interactions Journal of Computational Chemistry 32 2011 568 581
-
(2011)
Journal of Computational Chemistry
, vol.32
, pp. 568-581
-
-
Plewczynski, D.1
Lazniewski, M.2
Von Grotthuss, M.3
Rychlewski, L.4
Ginalski, K.5
-
7
-
-
72449144245
-
Drug efficiency indices for improvement of molecular docking scoring functions
-
A.T. Garcia-Sosa, C. Hetenyi, and U. Maran Drug efficiency indices for improvement of molecular docking scoring functions Journal of Computational Chemistry 31 2010 174 184
-
(2010)
Journal of Computational Chemistry
, vol.31
, pp. 174-184
-
-
Garcia-Sosa, A.T.1
Hetenyi, C.2
Maran, U.3
-
8
-
-
20444422149
-
The PDBbind database: Methodologies and updates
-
R.X. Wang, X.L. Fang, Y.P. Lu, C.Y. Yang, and S.M. Wang The PDBbind database: methodologies and updates Journal of Medicinal Chemistry 48 2005 4111 4119
-
(2005)
Journal of Medicinal Chemistry
, vol.48
, pp. 4111-4119
-
-
Wang, R.X.1
Fang, X.L.2
Lu, Y.P.3
Yang, C.Y.4
Wang, S.M.5
-
9
-
-
76149120388
-
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading
-
O. Trott, and A.J. Olson AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading Journal of Computational Chemistry 31 2010 455 461
-
(2010)
Journal of Computational Chemistry
, vol.31
, pp. 455-461
-
-
Trott, O.1
Olson, A.J.2
-
13
-
-
11644261806
-
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
-
G.M. Morris, D.S. Goodsell, R.S. Halliday, R. Huey, W.E. Hart, R.K. Belew, and A.J. Olson Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function Journal of Computational Chemistry 19 1998 1639 1662
-
(1998)
Journal of Computational Chemistry
, vol.19
, pp. 1639-1662
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
Huey, R.4
Hart, W.E.5
Belew, R.K.6
Olson, A.J.7
-
14
-
-
37249091134
-
Computation of octanol-water partition coefficients by guiding an additive model with knowledge
-
T.J. Cheng, Y. Zhao, X. Li, F. Lin, Y. Xu, X.L. Zhang, Y. Li, R.X. Wang, and L.H. Lai Computation of octanol-water partition coefficients by guiding an additive model with knowledge Journal of Chemical Information and Modeling 47 2007 2140 2148
-
(2007)
Journal of Chemical Information and Modeling
, vol.47
, pp. 2140-2148
-
-
Cheng, T.J.1
Zhao, Y.2
Li, X.3
Lin, F.4
Xu, Y.5
Zhang, X.L.6
Li, Y.7
Wang, R.X.8
Lai, L.H.9
|