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Journal of Molecular Modeling|May 22, 2008
Bonding analysis and stability on alternant B16N16 cage and its dimersBing Yin, Guo Wang, Niya Sa, et al.Journal of Molecular Modeling|August 28, 2019
In silico evaluation of condensed and hydrolysable tannins as inhibitors of pancreatic α-amylasePaulo Sérgio Alves Bueno, Camila Gabriel Kato-Schwartz, Diego de Souza Lima, et al.Journal of Molecular Modeling|August 28, 2019
In silico investigations on the binding efficacy and allosteric mechanism of six different natural product compounds towards PTP1B inhibition through docking and molecular dynamics simulationsBaskaran SarathKumar, Baddireddi Subhadra LakshmiJournal of Molecular Modeling|March 30, 2019
Bloch Oscillations in Fibonacci lattices: polaron formationPaulo Eduardo de Brito, Bernhard Georg Enders, Luiz Antonio Ribeiro, et al.Journal of Molecular Modeling|August 31, 2019
Antimicrobial peptide ROAD-1 triggers phase change in local membrane environment to execute its activitySheeja V Vasudevan, Ashutosh KumarJournal of Molecular Modeling|August 31, 2019
DFT studies on nitrogen-rich pyrazino [2, 3-e] [1, 2, 3, 4] tetrazine-based high-energy density compoundsRaza Ullah Khan, Simin Zhu, Weihua ZhuJournal of Molecular Modeling|August 31, 2019
Exploring the potential of novel transition metal complexes derived from ONO donor type ligand: a quantum chemical studyShamraiz Hussain Talib, Sajjad Hussain, Shabbir Muhammad, et al.Journal of Molecular Modeling|September 5, 2019
Structural, electronic, optical, and thermodynamic properties of hydrochlorinated Janus graphene: a first-principle studyR Santosh, V KumarJournal of Molecular Modeling|September 5, 2019
Thermal stability and detonation character of nitro-substituted derivatives of imidazoleButong Li, Lulin Li, Sijia ChenJournal of Molecular Modeling|September 9, 2019
Further understanding of the Ru-centered [2+2] cycloreversion/cycloaddition involved into the interconversion of ruthenacyclobutane using the Grubbs catalysts from a reaction force analysisKatherine Paredes-Gil, Fernando Mendizábal, Pablo JaquePageof 698