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Journal of Molecular Graphics & Modelling|May 14, 2013
A conceptual basis to encode and detect organic functional groups in XMLPunnaivanam Sankar, Alain Krief, Durairaj VijayasarathiJournal of Molecular Graphics & Modelling|April 23, 2013
Elaborate ligand-based modeling reveal new migration inhibitory factor inhibitorsMahmoud A Al-Sha'er, Sonya VanPatten, Yousef Al-Abed, et al.Journal of Molecular Graphics & Modelling|March 8, 2013
Benchmarking of HPCC: A novel 3D molecular representation combining shape and pharmacophoric descriptors for efficient molecular similarity assessmentsArnaud S Karaboga, Florent Petronin, Gino Marchetti, et al.Journal of Molecular Graphics & Modelling|February 7, 2013
Mechanism of the irreversible inhibition of human cyclooxygenase-1 by aspirin as predicted by QM/MM calculationsL Tóth, L Muszbek, I KomáromiJournal of Molecular Graphics & Modelling|December 25, 2012
Can Si-doped graphene activate or dissociate O2 molecule?Ying Chen, Xiao-chun Yang, Yue-jie Liu, et al.Journal of Molecular Graphics & Modelling|December 4, 2012
Structural analysis of the inhibition of APRIL by TACI and BCMA through molecular dynamics simulationsMaite González-Mendióroz, Ana Belén Alvarez-Vázquez, Jaime Rubio-MartinezJournal of Molecular Graphics & Modelling|December 11, 2012
Theoretical studies on the common catalytic mechanism of transketolase by using simplified modelsXiang Sheng, Yongjun Liu, Chengbu LiuJournal of Molecular Graphics & Modelling|December 11, 2012
Association of nicotinic acid with a poly(amidoamine) dendrimer studied by molecular dynamics simulationsJulio Caballero, Horacio Poblete, Cristell Navarro, et al.Journal of Molecular Graphics & Modelling|December 12, 2012
An in silico approach to evaluate the polyspecificity of methionyl-tRNA synthetasesSaravanan Prabhu Nadarajan, Sam Mathew, Kanagavel Deepankumar, et al.Journal of Molecular Graphics & Modelling|January 3, 2013
Pharmacophore modeling and virtual screening studies to design potential COMT inhibitors as new leadsNidhi Jatana, Aditya Sharma, N LathaPageof 400