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Journal of Molecular Modeling|April 19, 2024
Bond analysis in meta- and para-substituted thiophenols: overlap descriptors, local mode analysis, and QTAIMWillis G Barbosa, Carlos V Santos-Jr, Railton B Andrade, et al.Journal of Molecular Modeling|April 19, 2024
Electronegativity-dependent Pt anchoring and molecule adsorption for graphene-based supported Pt single atomShiyu Wang, Boxin Cheng, Xiuzhong Fang, et al.Journal of Molecular Modeling|April 16, 2024
Comparison of Cu3, Cu5, and Cu7 clusters as potential antioxidants: A theoretical questBatoul Alipour, Mohamad Zaman KassaeeJournal of Molecular Modeling|April 16, 2024
Molecular dynamics simulation of the effect of temperature on the conformation of ubiquitin proteinJunpeng Hu, Shanshan Song, Mengting Yu, et al.Journal of Molecular Modeling|August 16, 2014
Molecular modeling in dioxane methanol interactionDipti Sharma, Sagarika Sahoo, Bijay K MishraJournal of Molecular Modeling|November 19, 2013
A density functional theory study on peptide bond cleavage at aspartic residues: direct vs cyclic intermediate hydrolysisWichien Sang-aroon, Vittaya Amornkitbamrung, Vithaya RuangpornvisutiJournal of Molecular Modeling|August 21, 2014
DFT study of the per-6-amino-β-cyclodextrin as catalyst in synthesis of 2-aryl-2,3-dihydro-4-quinolonesYali Wan, Xueye Wang, Na LiuJournal of Molecular Modeling|August 24, 2014
Labelling Herceptin with a novel oxaliplatin derivative: a computational approach towards the selective drug deliveryJosé P Cerón-Carrasco, Javier Cerezo, Alberto Requena, et al.Journal of Molecular Modeling|August 26, 2014
Molecular dynamics comparison of E. coli WrbA apoprotein and holoproteinDavid Reha, Balasubramanian Harish, Dhiraj Sinha, et al.Journal of Molecular Modeling|September 2, 2014
Theoretical study on the chemical mechanism of enoyl-CoA hydratase and the form of inhibitor bindingXiaobin Cui, Rongxing He, Qinlei Yang, et al.Pageof 696