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Journal of Molecular Modeling|July 4, 2015
In silico ligand binding studies of cyanogenic β-glucosidase, dhurrinase-2 from Sorghum bicolorChavi Mahajan, Krunal Patel, Bashir M Khan, et al.Journal of Molecular Modeling|July 16, 2015
Monoterpenes as nitrofurantoin resistance modulating agents: minimal structural requirements, molecular dynamics simulations, and the effect of piperitone on the emergence of nitrofurantoin resistance in EnterobacteriaceaeAhmad R Shahverdi, Sako Mirzaie, Fatemeh Rafii, et al.Journal of Molecular Modeling|June 15, 2015
Electron transport properties of a single-walled carbon nanotube in the presence of hydrogen cyanide: first-principles analysisAnurag Srivastava, Vikash Sharma, Kamalpreet Kaur, et al.Journal of Molecular Modeling|July 23, 2015
Investigation into the metallophilic interaction in coinage-metal halides: an ab initio study of CMX (CM = Cu and Ag, X = F - I)Xinying Li, Zhen-duo GengJournal of Molecular Modeling|July 23, 2015
Theoretical studies of nickel-catalyzed ring-opening hydroacylation of methylenecyclopropanes and benzaldehydesFen Wang, Shuhua Zhu, Qingxi Meng, et al.Journal of Molecular Modeling|June 5, 2015
Comparative evaluation of several docking tools for docking small molecule ligands to DC-SIGNGregor Jug, Marko Anderluh, Tihomir TomašičJournal of Molecular Modeling|June 6, 2015
Molecular dynamics simulation study of chitosan and gemcitabine as a drug delivery systemFariba Razmimanesh, Sepideh Amjad-Iranagh, Hamid ModarressJournal of Molecular Modeling|June 11, 2015
Parameter determination procedure for extended Hückel approximation and its application for solid-state electrolytesShinya Nishino, Takeo Fujiwara, Naoki Watanabe, et al.Journal of Molecular Modeling|June 22, 2015
Computational studies of the binding mechanisms of fullerenes to human serum albuminJinyu Li, Lizhi Jiang, Xiaolei ZhuJournal of Molecular Modeling|August 19, 2016
DFT/TDDFT investigation on the chemical reactivities, aromatic properties, and UV-Vis absorption spectra of 1-butoxy-4-methoxybenzenepillar[5]arene constitutional isomersJian Zhang, Shuqing RenPageof 693