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Journal of Molecular Graphics & Modelling|March 4, 2019
OxH2x+1+ clusters: A new series of non-metallic superalkali cations by trapping H3O+ into waterAmbrish Kumar SrivastavaJournal of Molecular Graphics & Modelling|March 20, 2019
Refinement of the gonadotropin releasing hormone receptor I homology model by applying molecular dynamicsHaralambos Tzoupis, Agathi Nteli, Jamie Platts, et al.Journal of Molecular Graphics & Modelling|March 1, 2019
TPP riboswitch aptamer: Role of Mg2+ ions, ligand unbinding, and allosterySiladitya Padhi, Meenakshi Pradhan, Navneet Bung, et al.Journal of Molecular Graphics & Modelling|April 2, 2019
In Silico insights on enhancing thermostability and activity of a plant Fructosyltransferase from Pachysandra terminalis via introduction of disulfide bridgesChristopher Llynard D Ortiz, Hosea D Matel, Ricky B NellasJournal of Molecular Graphics & Modelling|July 29, 2019
Investigation of performance of aluminum doped carbon nanotube (8, 0) as adequate catalyst to oxygen reduction reactionMeng Sun, Xue Wang, Xiaomin Shang, et al.Journal of Molecular Graphics & Modelling|July 23, 2019
Interaction of rat α9α10 nicotinic acetylcholine receptor with α-conotoxin RgIA and Vc1.1: Insights from docking, molecular dynamics and binding free energy contributionsRui Li, Xincan Li, Jiemei Jiang, et al.Journal of Molecular Graphics & Modelling|July 23, 2019
Nitrogen mustard gas molecules and α-arsenene nanosheet interaction studies - A DFT insightR Bhuvaneswari, V Nagarajan, R ChandiramouliJournal of Molecular Graphics & Modelling|July 26, 2019
Prediction of ATP-binding sites in membrane proteins using a two-dimensional convolutional neural networkTrinh-Trung-Duong Nguyen, Nguyen-Quoc-Khanh Le, Rosdyana Mangir Irawan Kusuma, et al.Journal of Molecular Graphics & Modelling|July 26, 2019
Parallel cascade selection molecular dynamics to screen for protein complexes generated by rigid dockingRyuhei Harada, Ryunosuke Yoshino, Hiroaki Nishizawa, et al.Journal of Molecular Graphics & Modelling|February 20, 2017
Effects of metal-ion replacement on pyrazinamidase activity: A quantum mechanical studyMahmoud Khadem-Maaref, Faramarz Mehrnejad, Arash PhirouzniaPageof 407