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Journal of Molecular Modeling|October 12, 2013
A theoretical investigation into the cooperativity effect between the H∙∙∙O and H∙∙∙F⁻ interactions and electrostatic potential upon 1:2 (F⁻:N-(Hydroxymethyl)acetamide) ternary-system formationQing-Ping Tian, Yan-Hong Wang, Wen-Jing Shi, et al.Journal of Molecular Modeling|August 28, 2014
B2(BO)6 0/- and B 2(BS) 6 0/- doubly bridged structures containing BO or BS as ligandsDa-Zhi Li, Si-Dian LiJournal of Molecular Modeling|August 23, 2014
Theoretical study of the hydrogen bonding and infrared spectroscopy in the cis-vacant polymorph of dioctahedral 2:1 phyllosilicatesElizabeth Escamilla-Roa, Alfonso Hernández-Laguna, C Ignacio Sainz-DíazJournal of Molecular Modeling|August 21, 2014
Mechanism of the palladium-catalyzed hydrothiolation of alkynes to thioethers: a DFT studyXing-hui Zhang, Zhi-yuan Geng, Ke-tai Wang, et al.Journal of Molecular Modeling|August 22, 2014
Study of the chelating properties of Ge(OH)2 functionality as metal binding group for Zn2+ cation in simplified protease-like environments: a DFT analysisPilar Gema Rodríguez Ortega, Manuel Montejo, Juan Jesús López GonzálezJournal of Molecular Modeling|July 10, 2014
Understanding the domino retro [3+2] cycloaddition/cyclization reaction of bicyclic isoxazolidines in the synthesis of spirocyclic alkaloids. A DFT studyHatem Layeb, Abdelmalek Khorief Nacereddine, Abdelhafid Djerourou, et al.Journal of Molecular Modeling|July 6, 2014
Biomimetic polymers of plant cutin: an approach from molecular modelingMiguel A San-Miguel, Jaime Oviedo, Jose Alejandro Heredia-Guerrero, et al.Journal of Molecular Modeling|March 10, 2016
Functional analysis of the binding model of microbial inulinases using docking and molecular dynamics simulationPuneet Kumar Singh, Josmi Joseph, Sukriti Goyal, et al.Journal of Molecular Modeling|March 13, 2016
PDP-CON: prediction of domain/linker residues in protein sequences using a consensus approachPiyali Chatterjee, Subhadip Basu, Julian Zubek, et al.Journal of Molecular Modeling|July 29, 2015
Molecular dynamic analysis of mutant Y195I α-cyclodextrin glycosyltransferase with switched product specificity from α-cyclodextrin to γ-cyclodextrinFangjin Chen, Ting Xie, Yang Yue, et al.Pageof 695