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Journal of Molecular Modeling|December 4, 2010
Computational synthesis of hydrogenated fullerenes from C₆₀ to C₆₀H₆₀Elena F ShekaJournal of Molecular Modeling|October 28, 2010
Understanding the structure-activity relationship of betulinic acid derivatives as anti-HIV-1 agents by using 3D-QSAR and dockingPing Lan, Wan-Na Chen, Zhi-Jian Huang, et al.Journal of Molecular Modeling|November 17, 2010
Lignin-derived oak phenolics: a theoretical examination of additional potential health benefits of red wineWilliam N SetzerJournal of Molecular Modeling|June 8, 2010
Theoretical investigation of reactivities of amines in the N-nitrosation reactions by N2O3Zhi Sun, Yong Dong Liu, Rugang ZhongJournal of Molecular Modeling|June 26, 2010
Evaluation of two-center Coulomb and hybrid integrals over complete orthonormal sets of Ψα-ETO using auxiliary functionsIsrafil I Guseinov, Ercan SahinJournal of Molecular Modeling|July 10, 2010
Structural change from doping the gold clusterYiji Tang, Shu-Guang Wang, Jia LiJournal of Molecular Modeling|July 6, 2010
Allosteric transition and binding of small molecule effectors causes curvature change in central β-sheets of selected enzymesEllen Tolonen, Brenda Bueno, Sanjeev Kulshreshta, et al.Journal of Molecular Modeling|July 24, 2010
Nitrosation of malononitrile by HONO, ClNO and N₂O₃: a theoretical studyKun Yang, Xiao-Fang Chen, Jian-Yong Liu, et al.Journal of Molecular Modeling|August 10, 2010
Modeling the adsorptive selectivity of carbon nanotubes for effective separation of CO₂/N₂ mixturesSeyedeh Saleheh Razavi, Seyed Majid Hashemianzadeh, Hedayat KarimiJournal of Molecular Modeling|July 13, 2010
Molecular modeling and dynamics simulation of a histidine-tagged cytochrome b₅Ying-Wu Lin, Tian-Lei Ying, Li-Fu LiaoPageof 693