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Journal of Molecular Modeling|June 25, 2013
Effects of organic solvents and substrate binding on trypsin in acetonitrile and hexane mediaYanyan Meng, Yuan Yuan, Yanyan Zhu, et al.Journal of Molecular Modeling|May 28, 2013
Computational nanochemistry study of the molecular structure and properties of ethambutolGuillermo Salgado-Morán, Samuel Ruiz-Nieto, Lorena Gerli-Candia, et al.Journal of Molecular Modeling|April 30, 2013
Synthesis and biological evaluation of cationic fullerene quinazolinone conjugates and their binding mode with modeled Mycobacterium tuberculosis hypoxanthine-guanine phosphoribosyltransferase enzymeManishkumar B Patel, Sivakumar Prasanth Kumar, Nikunj N Valand, et al.Journal of Molecular Modeling|April 30, 2013
Understanding the antioxidant behavior of some vitamin molecules: a first-principles density functional approachVipin Kumar, Shyam Kishor, Lavanya M RamaniahJournal of Molecular Modeling|June 11, 2013
Theoretical investigation of the selectivity in intramolecular cyclizations of some 2'-aminochalcones to dihydroquinolin-8-ones and indolin-3-onesAndres Reyes, Paola Andrea Cuervo, Fabian Orozco, et al.Journal of Molecular Modeling|June 27, 2013
A DFT study on the sensing behavior of a BC2N nanotube toward formaldehydeMaziar Noei, Ali Ahmadi PeyghanJournal of Molecular Modeling|November 2, 2013
Revealing the nature of intermolecular interaction and configurational preference of the nonpolar molecular dimers (H₂)₂, (N₂)₂, and (H₂)(N₂)Tian Lu, Feiwu ChenJournal of Molecular Modeling|September 10, 2013
Influence of doped nitrogen and vacancy defects on the thermal conductivity of graphene nanoribbonsHaiying Yang, Yunqing Tang, Jie Gong, et al.Journal of Molecular Modeling|October 15, 2013
Highlighting a π-π interaction: a protein modeling and molecular dynamics simulation study on Anopheles gambiae glutathione S-transferase 1-2Yan Wang, Qing-Chuan Zheng, Ji-Long Zhang, et al.Journal of Molecular Modeling|October 16, 2013
Molecular docking of thiamine reveals similarity in binding properties between the prion protein and other thiamine-binding proteinsNataraj S Pagadala, Trent C Bjorndahl, Nikolay Blinov, et al.Pageof 695