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Journal of Molecular Modeling|August 2, 2011
Dynamics comparison of two myoglobins with a distinct heme active siteYing-Wu Lin, Yi-Mou Wu, Li-Fu LiaoJournal of Molecular Modeling|August 2, 2011
Trimethylaurintricarboxylic acid inhibits human DNA methyltransferase 1: insights from enzymatic and molecular modeling studiesJakyung Yoo, José L Medina-FrancoJournal of Molecular Modeling|August 2, 2011
Docking-based 3D-QSAR analyses of pyrazole derivatives as HIV-1 non-nucleoside reverse transcriptase inhibitorsElena Cichero, Paola FossaJournal of Molecular Modeling|August 2, 2011
Molecular dynamics simulations of EMI-BF₄ in nanoporous carbon actuatorsEndel Soolo, Daniel Brandell, Anti Liivat, et al.Journal of Molecular Modeling|December 29, 2011
Pharmacophore modeling and virtual screening studies to identify new c-Met inhibitorsWenting Tai, Tao Lu, Haoliang Yuan, et al.Journal of Molecular Modeling|January 4, 2012
Design and selection of nitrogen-rich bridged di-1,3,5-triazine derivatives with high energy and reduced sensitivityYong Pan, Weihua Zhu, Heming XiaoJournal of Molecular Modeling|March 8, 2012
Study on the enantioselectivity inhibition mechanism of acetyl-coenzyme A carboxylase toward haloxyfop by homology modeling and MM-PBSA analysisJin Tao, Guirong Zhang, Aijun Zhang, et al.Journal of Molecular Modeling|March 15, 2012
First principles studies of the graphene-phenol interactionsJosé M Galicia Hernández, Ernesto Chigo Anota, María T Romero de la Cruz, et al.Journal of Molecular Modeling|April 28, 2011
A density functional theory approach toward substituent effect in Meerwein-Eschenmoser-Claisen rearrangementRahim Ghadari, Ahmad ShaabaniJournal of Molecular Modeling|April 28, 2011
Microsolvation effect and hydrogen-bonding pattern of taurine-water TA-(H2O)n (n = 1-3) complexesYumei Dai, Yuhua Wang, Zhengguo Huang, et al.Pageof 699