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Journal of Molecular Modeling|May 12, 2011
Binding of BIS like and other ligands with the GSK-3β kinase: a combined docking and MM-PBSA studyNihar R JenaJournal of Molecular Modeling|May 28, 2011
XRD and DFT-modelized structures of a pteridine-2,4(1H,3H)-dithione/N,N'-dimethylformamide H-bonded cluster (2:2). MO study of the coordination abilityNuria A Illán-Cabeza, Tomás Peña-Ruiz, Miguel N Moreno-CarreteroJournal of Molecular Modeling|June 14, 2011
Molecular docking and structural analysis of cofactor-protein interaction between NAD⁺ and 11β-hydroxysteroid dehydrogenase type 2Hideaki Yamaguchi, Tatsuo Akitaya, Tao Yu, et al.Journal of Molecular Modeling|June 1, 2011
Ab initio simulation of the effect of the potential of water on the electronic structure of arginineXingrong Wang, Haoping ZhengJournal of Molecular Modeling|June 1, 2011
Influence of stereochemistry on proton transfer in protonated tripeptide modelsNamat Ali Soliman, Petr Kulhánek, Jaroslav KočaJournal of Molecular Modeling|September 13, 2015
Simultaneous interactions of pyrimidine ring with BeF2 and BF3 in BeF2⋅⋅⋅X-Pyr⋅⋅⋅BF3 complexes: non-cooperativitySaber Ghafari, Alireza GholipourJournal of Molecular Modeling|December 16, 2014
Functionalization of the pristine and stone-wales defected BC3 graphenes with pyreneAli Ahmadi Peyghan, Maziar Noei, Zargham BagheriJournal of Molecular Modeling|December 16, 2014
Understanding the cytotoxicity or cytoprotective effects of biological and synthetic quinone derivatives by redox mechanismRosivaldo S Borges, Agnaldo S Carneiro, Tainá G Barros, et al.Journal of Molecular Modeling|September 29, 2015
Computational insight into the structure-activity relationship of novel N-substituted phthalimides with gibberellin-like activityDongling Li, Shaoqing Du, Weiming Tan, et al.Journal of Molecular Modeling|August 9, 2015
Theoretical and experimental studies of phenol oxidation by ruthenium complex with N,N,N-tris(benzimidazol-2yl-methyl)amineJ Guadalupe Hernandez, Antonio Romero Silva, Pandiyan Thangarasu, et al.Pageof 694