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| Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
|---|---|---|---|
| 1 |
Material Type: Article
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ReactionPredictor: Prediction of Complex Chemical Reactions at the Mechanistic Level Using Machine LearningKayala, Matthew A ; Baldi, PierreJournal of chemical information and modeling, 2012-10, Vol.52 (10), p.2526-2540 [Peer Reviewed Journal]Washington, DC: American Chemical SocietyFull text available |
| 2 |
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Potential and Limitations of Ensemble DockingKorb, Oliver ; Olsson, Tjelvar S. G. ; Bowden, Simon J. ; Hall, Richard J. ; Verdonk, Marcel L. ; Liebeschuetz, John W. ; Cole, Jason C.Journal of chemical information and modeling, 2012-05, Vol.52 (5), p.1262-1274 [Peer Reviewed Journal]Washington, DC: American Chemical SocietyFull text available |
| 3 |
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Performance Evaluation of 2D Fingerprint and 3D Shape Similarity Methods in Virtual ScreeningHu, Guoping ; Kuang, Guanglin ; Xiao, Wen ; Li, Weihua ; Liu, Guixia ; Tang, YunJournal of chemical information and modeling, 2012-05, Vol.52 (5), p.1103-1113 [Peer Reviewed Journal]Washington, DC: American Chemical SocietyFull text available |
| 4 |
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Recipes for the Selection of Experimental Protein Conformations for Virtual ScreeningRueda, Manuel ; Bottegoni, Giovanni ; Abagyan, RubenJournal of chemical information and modeling, 2010-01, Vol.50 (1), p.186-193 [Peer Reviewed Journal]Washington, DC: American Chemical SocietyFull text available |
| 5 |
Material Type: Article
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New Aryl Hydrocarbon Receptor Homology Model Targeted To Improve Docking ReliabilityMotto, Ilaria ; Bordogna, Annalisa ; Soshilov, Anatoly A ; Denison, Michael S ; Bonati, LauraJournal of chemical information and modeling, 2011-11, Vol.51 (11), p.2868-2881 [Peer Reviewed Journal]Washington, DC: American Chemical SocietyFull text available |
| 6 |
Material Type: Article
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Predicting Ligand Binding Modes from Neural Networks Trained on Protein–Ligand Interaction FingerprintsChupakhin, Vladimir ; Marcou, Gilles ; Baskin, Igor ; Varnek, Alexandre ; Rognan, DidierJournal of chemical information and modeling, 2013-04, Vol.53 (4), p.763-772 [Peer Reviewed Journal]Washington, DC: American Chemical SocietyFull text available |
| 7 |
Material Type: Article
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New Model of Cystic Fibrosis Transmembrane Conductance Regulator Proposes Active Channel-like ConformationDalton, James ; Kalid, Ori ; Schushan, Maya ; Ben-Tal, Nir ; Villà-Freixa, JordiJournal of chemical information and modeling, 2012-07, Vol.52 (7), p.1842-1853 [Peer Reviewed Journal]Washington, DC: American Chemical SocietyFull text available |
| 8 |
Material Type: Article
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Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of TTK InhibitorsLangdon, Sarah R ; Westwood, Isaac M ; van Montfort, Rob L. M ; Brown, Nathan ; Blagg, JulianJournal of chemical information and modeling, 2013-05, Vol.53 (5), p.1100-1112 [Peer Reviewed Journal]Washington, DC: American Chemical SocietyFull text available |
| 9 |
Material Type: Article
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Protein Flexibility in Virtual Screening: The BACE‑1 Case StudyCosconati, Sandro ; Marinelli, Luciana ; Di Leva, Francesco Saverio ; La Pietra, Valeria ; De Simone, Angela ; Mancini, Francesca ; Andrisano, Vincenza ; Novellino, Ettore ; Goodsell, David S ; Olson, Arthur JJournal of chemical information and modeling, 2012-10, Vol.52 (10), p.2697-2704 [Peer Reviewed Journal]Washington, DC: American Chemical SocietyFull text available |
| 10 |
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High-Throughput Virtual Screening of Proteins Using GRID Molecular Interaction FieldsSciabola, Simone ; Stanton, Robert V ; Mills, James E ; Flocco, Maria M ; Baroni, Massimo ; Cruciani, Gabriele ; Perruccio, Francesca ; Mason, Jonathan SJournal of chemical information and modeling, 2010-01, Vol.50 (1), p.155-169 [Peer Reviewed Journal]Washington, DC: American Chemical SocietyFull text available |
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