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Journal of Molecular Modeling|July 29, 2015
π-Hole interaction: a theoretical insight into the mechanism of SO2 captured by [Et 2NEMim][Tetz] ionic liquidsDongmei Du, Aiping Fu, Mei Qin, et al.Journal of Molecular Modeling|February 11, 2016
Probing the ATP-induced conformational flexibility of the PcrA helicase protein using molecular dynamics simulationAnil R Mhashal, Chandan Kumar Choudhury, Sudip RoyJournal of Molecular Modeling|March 30, 2016
Impacts of the charged residues mutation S48E/N62H on the thermostability and unfolding behavior of cold shock protein: insights from molecular dynamics simulation with Gō modelJi-Guo Su, Xiao-Ming Han, Shu-Xin Zhao, et al.Journal of Molecular Modeling|March 30, 2016
Investigation of the effect of erythrosine B on amyloid beta peptide using molecular modelingJuho Lee, Inchan Kwon, Seung Soon Jang, et al.Journal of Molecular Modeling|April 1, 2016
The mechanisms for N-heterocyclic olefin-catalyzed formation of cyclic carbonate from CO2 and propargylic alcoholsZhi-E Yan, Rui-Ping Huo, Li-hui Guo, et al.Journal of Molecular Modeling|April 3, 2016
Mapping the intrinsically disordered properties of the flexible loop domain of Bcl-2: a molecular dynamics simulation studyIan Ilizaliturri-Flores, José Correa-Basurto, Martiniano Bello, et al.Journal of Molecular Modeling|August 9, 2017
The search for new powerful energetic transition metal complexes based on 3,3'-dinitro-5,5'-bis-1,2,4-triazole-1,1'-diolate anion: a DFT studyQiong Wu, Bo Kou, Zewu Zhang, et al.Journal of Molecular Modeling|July 22, 2017
Exploring the potential energy surface of novel [H, S, Se, Br] species: a high level first principle studyS U A Ramjauny, I A Alswaidan, N B Jaufeerally-Safee, et al.Journal of Molecular Modeling|July 24, 2017
Theoretical insight into the solvent effect of H2O and formamide on the cooperativity effect in HMX complexRui-Hong Meng, Xiong Cao, Shuang-Qi Hu, et al.Journal of Molecular Modeling|July 24, 2017
An evaluation of the reliability of the characterization of the porous structure of activated carbons based on incomplete nitrogen adsorption isothermsMirosław Kwiatkowski, Bassim H HameedPageof 695