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Journal of Molecular Modeling|July 28, 2010
Structures of Au/Pt bimetallic clusters: homogeneous or segregated?Fang Wang, Peng Liu, Dongju ZhangJournal of Molecular Modeling|June 19, 2010
Predicting helium and neon adsorption and separation on carbon nanotubes by Monte Carlo simulationZabiollah Bolboli Nojini, Amir Abbas Rafati, Seyed Majid Hashemianzadeh, et al.Journal of Molecular Modeling|September 17, 2010
Docking of the alkaloid geissospermine into acetylcholinesterase: a natural scaffold targeting the treatment of Alzheimer's diseaseJocley Queiroz Araújo, Josélia Alencar Lima, Angelo da Cunha Pinto, et al.Journal of Molecular Modeling|September 17, 2010
A comparative study of one- and two-photon absorption properties of pyrene and perylene diimide derivativesXiao-Ting Liu, Yang Zhao, Ai-Min Ren, et al.Journal of Molecular Modeling|September 21, 2010
Integrating computational and mixture-based screening of combinatorial librariesAustin B Yongye, Clemencia Pinilla, Jose L Medina-Franco, et al.Journal of Molecular Modeling|September 18, 2010
Sigma- and pi- electron structure of aza-azolesTadeusz M Krygowski, Wojciech P Oziminski, Christopher A RamsdenJournal of Molecular Modeling|October 6, 2010
Third-order nonlinear optical materials: practical issues and theoretical challengesMarek SamoćJournal of Molecular Modeling|October 6, 2010
Computational investigation of the histidine ammonia-lyase reaction: a modified loop conformation and the role of the zinc(II) ionAmalia-Laura Seff, Sarolta Pilbák, Ioan Silaghi-Dumitrescu, et al.Journal of Molecular Modeling|September 28, 2010
Calculation of multicenter electric field gradient integrals over Slater-type orbitals using unsymmetrical one-range addition theoremsIsrafil I Guseinov, Nurşen Seçkin GörgünJournal of Molecular Modeling|June 5, 2010
Computer-aided molecular design of 1H-imidazole-2,4-diamine derivatives as potential inhibitors of Plasmodium falciparum DHFR enzymeLegesse Adane, Prasad V BharatamPageof 693