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Journal of Molecular Graphics & Modelling|October 1, 2015
Elucidation of the binding mechanism of renin using a wide array of computational techniques and biological assaysHaralambos Tzoupis, Georgios Leonis, Aggelos Avramopoulos, et al.Journal of Molecular Graphics & Modelling|January 7, 2015
Exploring the drug resistance of V32I and M46L mutant HIV-1 protease to inhibitor TMC114: flap dynamics and binding mechanismBiswa Ranjan Meher, Yixuan WangJournal of Molecular Graphics & Modelling|August 25, 2015
Structural insights into the interaction between molluscan hemocyanins and phenolic substrates: An in silico study using docking and molecular dynamicsK N Naresh, Arun Sreekumar, S S RajanJournal of Molecular Graphics & Modelling|September 20, 2015
Anti-tubercular drug development: computational strategies to identify potential compoundsSanchaita Rajkhowa, Anupam Nath Jha, Ramesh Chandra DekaJournal of Molecular Graphics & Modelling|September 20, 2015
Coarse-grained molecular dynamics simulation of water diffusion in the presence of carbon nanotubesIsabel Lado Touriño, Arisbel Cerpa Naranjo, Viviana Negri, et al.Journal of Molecular Graphics & Modelling|January 9, 2015
Using support vector machines to identify protein phosphorylation sites in virusesShu-Yun Huang, Shao-Ping Shi, Jian-Ding Qiu, et al.Journal of Molecular Graphics & Modelling|September 27, 2014
Ab initio molecular simulations for proposing potent inhibitors to butyrylcholinesterasesTakeru Murakawa, Yuki Matsushita, Tomoya Suzuki, et al.Journal of Molecular Graphics & Modelling|August 31, 2015
The conformation effect of the diamine bridge on the stability of dinuclear platinum(II) complexes and their hydrolysisLucas F Esteves, Hélio F Dos Santos, Luiz Antônio S CostaJournal of Molecular Graphics & Modelling|September 15, 2014
Mixed micellization of gemini and conventional surfactant in aqueous solution: a lattice Monte Carlo simulationHussein Gharibi, Zahra Khodadadi, S Morteza Mousavi-Khoshdel, et al.Journal of Molecular Graphics & Modelling|January 16, 2015
Ligand-based 3D QSAR analysis of reactivation potency of mono- and bis-pyridinium aldoximes toward VX-inhibited rat acetylcholinesteraseRafael Dolezal, Jan Korabecny, David Malinak, et al.Pageof 408