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Journal of Molecular Graphics & Modelling|February 12, 2013
Computer modeling on the tautomerization of sulbactam intermediate in SHV-1 β-lactamases: E166A mutant vs. wild typeRui Li, Yeng-Tseng Wang, Cheng-Lung ChenJournal of Molecular Graphics & Modelling|June 4, 2013
N-NO2 bond dissociation energies in acetonitrile: an assessment of contemporary computational methodsXiao-Hong Li, Rui-Zhou Zhang, Xian-Zhou ZhangJournal of Molecular Graphics & Modelling|June 5, 2013
Molecular dynamics simulation of single-walled silicon carbide nanotubes immersed in waterFariba Taghavi, Soheila Javadian, Seyed Majid HashemianzadehJournal of Molecular Graphics & Modelling|June 5, 2013
Quantum polarized ligand docking investigation to understand the significance of protonation states in histone deacetylase inhibitorsSubha Kalyaanamoorthy, Yi-Ping Phoebe ChenJournal of Molecular Graphics & Modelling|April 10, 2013
Modeling of the energies and splitting of the Qx and Qy bands in positional isomers of zinc pyridinoporphyrazines by TDDFT approach: can TDDFT help distinguishing the structural isomers?Yunling Gao, Victor N NemykinJournal of Molecular Graphics & Modelling|June 11, 2013
Is the conformational flexibility of piperazine derivatives important to inhibit HIV-1 replication?Cátia Teixeira, Nawal Serradji, Souad Amroune, et al.Journal of Molecular Graphics & Modelling|July 24, 2013
Characterization and comparison of pore landscapes in crystalline porous materialsMarielle Pinheiro, Richard L Martin, Chris H Rycroft, et al.Journal of Molecular Graphics & Modelling|July 25, 2013
Structural and functional insights on folate receptor α (FRα) by homology modeling, ligand docking and molecular dynamicsStefano Della-Longa, Alessandro ArcovitoJournal of Molecular Graphics & Modelling|June 25, 2013
Prediction of boiling points of organic compounds by QSPR toolsYi-min Dai, Zhi-ping Zhu, Zhong Cao, et al.Journal of Molecular Graphics & Modelling|October 8, 2013
Probing the influence of solvent effect on the lithium ion binding affinity of 12-crown-O3N derivatives with unsaturated side arms: a computational studyRajesh Patidar, Parimal Paul, Bishwajit GangulyPageof 408