Showing results (31-40 of 9,085) with videos related to
Sort By:
Pageof 909
Journal of Chemical Information and Modeling|March 15, 2016
Binding Mode and Induced Fit Predictions for Prospective Computational Drug DesignChristoph Grebner, Jessica Iegre, Johan Ulander, et al.Journal of Chemical Information and Modeling|July 19, 2013
Accelerated conformational entropy calculations using graphic processing unitsQian Zhang, Junmei Wang, Ginés D Guerrero, et al.Journal of Chemical Information and Modeling|March 28, 2013
Docking challenge: protein sampling and molecular docking performanceKhaled M Elokely, Robert J DoerksenJournal of Chemical Information and Modeling|August 1, 2013
Bisanthracene bis(dicarboxylic imide)s as potential photosensitizers in photodynamic therapy: a theoretical investigationMarta E Alberto, Cristina Iuga, Angelo D Quartarolo, et al.Journal of Chemical Information and Modeling|May 25, 2012
Testing physical models of passive membrane permeationSiegfried S F Leung, Jona Mijalkovic, Kenneth Borrelli, et al.Journal of Chemical Information and Modeling|January 6, 2015
Pocketome of human kinases: prioritizing the ATP binding sites of (yet) untapped protein kinases for drug discoveryAndrea Volkamer, Sameh Eid, Samo Turk, et al.Journal of Chemical Information and Modeling|September 3, 2014
Molecular modeling of exquisitely selective c-Met inhibitors through 3D-QSAR and molecular dynamics simulationsHaoliang Yuan, Jin Zhuang, Shihe Hu, et al.Journal of Chemical Information and Modeling|August 26, 2014
Fragment-based docking: development of the CHARMMing Web user interface as a platform for computer-aided drug designYuri Pevzner, Emilie Frugier, Vinushka Schalk, et al.Journal of Chemical Information and Modeling|September 4, 2014
Topology of the interactions pattern in pharmaceutically relevant polymorphs of methylxanthines (caffeine, theobromine, and theophiline): combined experimental (¹H-¹⁴N nuclear quadrupole double resonance) and computational (DFT and Hirshfeld-based) studyJolanta Natalia Latosińska, Magdalena Latosińska, Grzegorz A Olejniczak, et al.Journal of Chemical Information and Modeling|September 2, 2014
Computational approaches elucidate the allosteric mechanism of human aromatase inhibition: a novel possible route to Small-molecule regulation of CYP450s activities?Jacopo Sgrignani, Marta Bon, Giorgio Colombo, et al.Pageof 909