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Journal of Computer-Aided Molecular Design|October 21, 2010
Ligand-guided optimization of CXCR4 homology models for virtual screening using a multiple chemotype approachMarco A C Neves, Sérgio Simões, M Luisa Sá e MeloJournal of Computer-Aided Molecular Design|October 21, 2010
3D-QSAR studies and molecular docking on [5-(4-amino-1H-benzoimidazol-2-yl)-furan-2-yl]-phosphonic acid derivatives as fructose-1,6-biphophatase inhibitorsPing Lan, Mei-Qi Xie, Yue-Mei Yao, et al.Journal of Computer-Aided Molecular Design|May 6, 2011
Rational design, synthesis and biological evaluations of amino-noscapine: a high affinity tubulin-binding noscapinoidPradeep K Naik, Biswa Prasun Chatterji, Surya N Vangapandu, et al.Journal of Computer-Aided Molecular Design|March 31, 2011
Structural insights into transient receptor potential vanilloid type 1 (TRPV1) from homology modeling, flexible docking, and mutational studiesJin Hee Lee, Yoonji Lee, HyungChul Ryu, et al.Journal of Computer-Aided Molecular Design|August 18, 2014
Exploring the dynamics and interaction of a full ErbB2 receptor and Trastuzumab-Fab antibody in a lipid bilayer model using Martini coarse-grained force fieldJuan Felipe Franco-Gonzalez, Javier Ramos, Victor L Cruz, et al.Journal of Computer-Aided Molecular Design|December 11, 2013
Combined QSAR and molecule docking studies on predicting P-glycoprotein inhibitorsWen Tan, Hu Mei, Li Chao, et al.Journal of Computer-Aided Molecular Design|November 19, 2013
Antioxidant properties of phenolic Schiff bases: structure-activity relationship and mechanism of actionEl Hassane Anouar, Salwa Raweh, Imene Bayach, et al.Journal of Computer-Aided Molecular Design|August 21, 2014
Structural insights into binding of small molecule inhibitors to Enhancer of Zeste Homolog 2Marko Kalinić, Mire Zloh, Slavica ErićJournal of Computer-Aided Molecular Design|June 29, 2016
Molecular dynamics simulations and structure-based network analysis reveal structural and functional aspects of G-protein coupled receptor dimer interactionsFotis A Baltoumas, Margarita C Theodoropoulou, Stavros J HamodrakasJournal of Computer-Aided Molecular Design|November 5, 2015
Activity prediction of substrates in NADH-dependent carbonyl reductase by docking requires catalytic constraints and charge parameterization of catalytic zinc environmentGaurao V Dhoke, Christoph Loderer, Mehdi D Davari, et al.Pageof 263