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Journal of Molecular Modeling|February 14, 2008
Minimum requirements of hydrophobic and hydrophilic features in cationic peptide antibiotics (CPAs): pharmacophore generation and validation with cationic steroid antibiotics (CSAs)Sandeep Sundriyal, Rohit K Sharma, Rahul Jain, et al.Journal of Molecular Modeling|February 16, 2008
Molecular geometry, vibrations and electrode potentials of 2-(4,5-dihydroxy-2-methylphenyl)-2-phenyl-2H-indene-1,3-dione; experimental and theoretical attemptsSiavash Riahi, Mohammad Reza Ganjali, Abdolmajid Bayandori Moghaddam, et al.Journal of Molecular Modeling|January 22, 2008
Molecular dynamics simulation of hydrated Nafion with a reactive force field for waterDetlef W M Hofmann, Liudmila Kuleshova, Bruno D'AguannoJournal of Molecular Modeling|March 22, 2014
Computational investigations into the substituent effects of -N₃, -NF₂, -NO₂, and -NH₂ on the structure, sensitivity and detonation properties of N, N'-azobis(1,2,4-triazole)Junqing Yang, Hua Yan, Guixiang Wang, et al.Journal of Molecular Modeling|March 22, 2014
Mechanistic insights for β-cyclodextrin catalyzed phosphodiester hydrolysisMahboobeh Rahimian, Sachin D Yeole, Shridhar P GejjiJournal of Molecular Modeling|March 4, 2014
Ab-initio study of structural, electronic, and transport properties of zigzag GaP nanotubesAnurag Srivastava, Sumit Kumar Jain, Purnima Swarup KhareJournal of Molecular Modeling|March 5, 2014
Sequence and 3D structure based analysis of TNT degrading proteins in Arabidopsis thalianaAmrita Bhattacherjee, Rahul Shubhra Mandal, Santasabuj Das, et al.Journal of Molecular Modeling|January 8, 2008
DFT tests for group 8 transition metal carbonyl complexesPipsa Hirva, Matti Haukka, Minna Jakonen, et al.Journal of Molecular Modeling|December 25, 2007
Obtaining the Morse parameter for large bond-stretching using Murrell-Sorbie parametersTeik-Cheng LimJournal of Molecular Modeling|February 8, 2014
Theoretical study of the adsorption of pentachlorophenol on the pristine and Fe-doped boron nitride nanotubesRuo-xi Wang, Dong-ju Zhang, Rong-xiu Zhu, et al.Pageof 708