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Journal of Molecular Modeling|January 15, 2019
Alkali ion influence on structure and stability of fibrillar amyloid-β oligomersDanyil Huraskin, Anselm H C HornJournal of Molecular Modeling|February 1, 2019
3-Aminopropyltriethoxysilane-aided cross-linked chitosan membranes for gas separation: grand canonical Monte Carlo and molecular dynamics simulationsHossein Riasat Harami, Morteza AsghariJournal of Molecular Modeling|December 1, 2018
Evaluating apoenzyme-coenzyme-substrate interactions of methane monooxygenase with an engineered active site for electron harvesting: a computational studySikai Zhang, Raghupathy Karthikeyan, Sandun D FernandoJournal of Molecular Modeling|December 22, 2019
Pnictogen, chalcogen, and halogen bonds in catalytic systems: theoretical study and detailed comparisonLing Lu, Yunxiang Lu, Zhengdan Zhu, et al.Journal of Molecular Modeling|January 1, 2020
Correction to: A DFT study on the mechanism of the organocatalytic synthesis of a benzoxazine-substituted indolizine derivativeXin Mao, Sufan Wang, Yongjia ShangJournal of Molecular Modeling|December 14, 2019
Ab initio studies of adsorption of Haloarenes on Heme groupRahul Suresh, R Shankar, S VijayakumarJournal of Molecular Modeling|December 14, 2019
First principles investigation on armchair zinc oxide nanoribbons as uric acid sensorsParamjot Singh, Deep Kamal Kaur Randhawa, Tarun, et al.Journal of Molecular Modeling|February 25, 2018
Interaction of drugs amlodipine and paroxetine with the metabolizing enzyme CYP2B4: a molecular dynamics simulation studyAbbas Yousefpour, Hamid Modarress, Fatemeh Goharpey, et al.Journal of Molecular Modeling|February 26, 2018
Theoretical study on p-type D-π-A sensitizers with modified π-spacers for dye-sensitized solar cellsWen Yan, Kadali Chaitanya, Zhi-Dan Sun, et al.Journal of Molecular Modeling|March 21, 2018
Theoretical investigation of the structures and properties of CL-20/DNB cocrystal and associated PBXs by molecular dynamics simulationGui-Yun Hang, Wen-Li Yu, Tao Wang, et al.Pageof 708