Below are selected publications from 2012; please check here to cite the use of Induced Fit
- • ö Per Plenge, Lei Shi, Thijs Beuming, Jerez Te, Amy Hauck Newman, Harel Weinstein, Ulrik Gether and Claus J. Loland, "Steric hindrance mutagenesis in the conserved extracellular vestibule impedes allosteric binding of antidepressants to the serotonin transporter," J. Biol. Chem., 2012, 287, 39316-39326
- • Fu, J.; Si, P.; Zheng, M.; Chen, L.; Shen, X.; Tang, Y.; Li, W., "Discovery of new non-steroidal FXR ligands via a virtual screening workflow based on Phase shape and induced fit docking," Bioorg. Med. Chem. Lett., 2012, 22(22), 6848-6853
- • Gemma, S.; Camodeca, C.; Coccone, S.S.; Joshi, B.P.; Bernetti, M.; Moretti, V.; Brogi, S.; de Marcos, M.C.B.; Savini, L.; Taramelli, D.; Basilico, N.; Parapini, S.; Rottmann, M.; Brun, R.; Lamponi, S.; Caccia, S.; Guiso, G.; Summers, R.L.; Martin, R.E.; , "Optimization of 4-aminoquinoline/clotrimazole-Based Hybrid antimalarials: Further structure–activity relationships, in vivo studies, and preliminary toxicity profiling," J. Med. Chem., 2012, 55(15), 6948-6967
- • ö Newman, A.H.; Beuming, T.; Banala, A.K.; Donthamsetti, P.; Pongetti, K.; LaBounty, A.; Levy, B.; Cao, J.; Michino, M.; Luedtke, R.P.; Javitch, J.A.; Shi, L., "Molecular determinants of selectivity and efficacy at the dopamine D3 receptor," J. Med. Chem., 2012, 55 (15), 6689–6699
- • ö Kalid, O.; Warshaviak, D.T.; Shechter, S.; Sherman, W.; Shacham, S.;, "Consensus Induced Fit Docking (cIFD): methodology, validation, and application to the discovery of novel Crm1 inhibitors," J. Comput-Aided Mol. Des., 2012, 26, 1217–1228
- ö indicates papers (co)authored by Schrödinger scientist(s).