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Journal of Molecular Modeling|June 2, 2007
Ab initio and DFT study of the aromaticity of some Fulvalenes derived from MethylidenecyclopropabenzeneM Merced Montero-Campillo, Jesús Rodríguez-Otero, E M Cabaleiro-LagoJournal of Molecular Modeling|April 18, 2007
Rational proteomics of PKD1. I. Modeling the three dimensional structure and ligand specificity of the C_lectin binding domain of Polycystin-1Vladimir Pletnev, Robert Huether, Lukas Habegger, et al.Journal of Molecular Modeling|June 2, 2006
A novel QSPR model for predicting θ (lower critical solution temperature) in polymer solutions using molecular descriptorsGeorgia Melagraki, Antreas Afantitis, Haralambos Sarimveis, et al.Journal of Molecular Modeling|May 26, 2006
CHIH-DFT determination of the molecular structure and IR and UV spectra of solanidineDaniel Glossman-MitnikJournal of Molecular Modeling|July 10, 2007
3D-QSAR studies on fluoropyrrolidine amides as dipeptidyl peptidase IV inhibitors by CoMFA and CoMSIAJuan Zeng, Guixia Liu, Yun Tang, et al.Journal of Molecular Modeling|August 24, 2007
The studies on substrate, product and inhibitor binding to a wild-type and neuronopathic form of human acid-beta-glucosidaseIgor Z Zubrzycki, Agnieszka Borcz, Magdalena Wiacek, et al.Journal of Molecular Modeling|June 27, 2008
Molecular structure and vibrational and chemical shift assignments of 5-(2-Hydroxyphenyl)-4-(p-tolyl)-2,4-dihydro-1,2,4-triazole-3-thione by DFT and ab initio HF calculationsMuharrem Dinçer, Davut Avci, Mehmet Sekerci, et al.Journal of Molecular Modeling|June 27, 2008
Interpretation of the mechanism of acetylcholinesterase inhibition ability by organophosphorus compounds through a new conformational descriptor. an experimental and theoretical studyGuido Mastrantonio, Hans-Georg Mack, Carlos Omar Della VédovaJournal of Molecular Modeling|June 26, 2008
DFT and GA studies on the QSAR of 2-aryl-5-nitro-1H-indole derivatives as NorA efflux pump inhibitorsYujie Dai, Xu Zhang, Xiuli Zhang, et al.Journal of Molecular Modeling|December 2, 2006
Effect of HPr phosphorylation on structure, dynamics, and interactions in the course of transcriptional controlNadine Homeyer, Timm Essigke, Heike Meiselbach, et al.Pageof 708