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Journal of Molecular Modeling|June 2, 2005
Study of a ligand complexed with Cdk2/Cdk4 by computer simulationYongjun Jiang, Jianwei Zou, Chunshan GuiJournal of Molecular Modeling|August 13, 2005
Comparison between Generalized-Born and Poisson-Boltzmann methods in physics-based scoring functions for protein structure predictionMatthew C Lee, Rong Yang, Yong DuanJournal of Molecular Modeling|April 4, 2006
The formation of endo-complexes between calixarenes and amines--a reinvestigationRalph Puchta, Timothy Clark, Walter BauerJournal of Molecular Modeling|April 1, 2006
Molecular modeling of the effects of mutant alleles on chalcone synthase protein structureChristopher D Dana, David R Bevan, Brenda S J WinkelJournal of Molecular Modeling|March 8, 2006
Comparative study of eight oxytocin antagonists by simulated annealingBalázs Jójárt, Arpád MárkiJournal of Molecular Modeling|March 24, 2006
Numerical simulation and graphical analysis of in vitro benign tumor growth: application of single-particle state bosonic matter equation with length scalingPradip K Biswas, Jiansen Niu, Tobias Frederico, et al.Journal of Molecular Modeling|January 27, 2007
Aromatic C20F20 cage and its endohedral complexes X@C20F20 (X = H-, F-, Cl-, Br-, H, He)Cai-Yun Zhang, Hai-Shun Wu, Haijun JiaoJournal of Molecular Modeling|January 30, 2007
CHIH-DFT determination of the molecular structure infrared spectra, UV spectra and chemical reactivity of three antitubercular compounds: Rifampicin, Isoniazid and PyrazinamideAlejandra Favila, Marco Gallo, Daniel Glossman-MitnikJournal of Molecular Modeling|December 14, 2007
Molecular electronegativity distance vector model for the prediction of bioconcentration factors in fishShu-Shen Liu, Li-Tang Qin, Hai-Ling Liu, et al.Journal of Molecular Modeling|February 24, 2006
Structures of inclusion complexes of halogenbenzoic acids and alpha-cyclodextrin based on AM1 calculationsMartin Pumera, Lubomír RulísekPageof 708