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Journal of Molecular Modeling|January 18, 2012
First- and second-row transition metal oxa-aza macrocyclic complexes: a DFT study of an octahedral conformationFrancisco C A Lima, Rommel B Viana, Thais T da Silva, et al.Journal of Molecular Modeling|January 13, 2012
Inter- versus intra-molecular cyclization of tripeptides containing tetrahydrofuran amino acids: a density functional theory study on kinetic controlN V Suresh Kumar, U Deva Priyakumar, Harjinder Singh, et al.Journal of Molecular Modeling|March 29, 2012
Modeling the interaction of seven bisphosphonates with the hydroxyapatite(100) faceChunyu Chen, Mingzhu Xia, Lei Wu, et al.Journal of Molecular Modeling|December 14, 2011
Computational study of the Sonogashira cross-coupling reaction in the gas phase and in dichloromethane solutionLauri Sikk, Jaana Tammiku-Taul, Peeter Burk, et al.Journal of Molecular Modeling|December 14, 2011
Theoretical prediction of the binding free energy for mutants of replication protein AClaudio Carra, Janapriya Saha, Francis A CucinottaJournal of Molecular Modeling|November 22, 2011
Structure and stability of kaolinite/TiO2 nanocomposite: DFT and MM computationsJonáš Tokarský, Pavla Capková, Jaroslav V BurdaJournal of Molecular Modeling|December 8, 2011
Structure prediction and binding sites analysis of curcin protein of Jatropha curcas using computational approachesMugdha Srivastava, Shishir K Gupta, P C Abhilash, et al.Journal of Molecular Modeling|March 8, 2012
Odd-electron molecular theory of graphene hydrogenationElena F Sheka, Nadezhda A PopovaJournal of Molecular Modeling|March 8, 2012
Local and global effects of Mg2+ on Ago and miRNA-target interactionsZhi Ma, Zhenghua Xue, Huixiao Zhang, et al.Journal of Molecular Modeling|November 29, 2014
Exploratory conformational study of (+)-catechin. Modeling of the polarizability and electric dipole momentErika N Bentz, Alicia B Pomilio, Rosana M LobayanPageof 695