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Journal of Molecular Graphics & Modelling|October 23, 2012
Exploring the structure determinants of pyrazinone derivatives as PDE5 3HC8 inhibitors: an in silico analysisYan Li, Wenzhao Wu, Hong Ren, et al.Journal of Molecular Graphics & Modelling|October 23, 2012
Comparative study on activation mechanism of carboxypeptidase A1, A2 and B: first insights from steered molecular dynamics simulationsJitrayut Jitonnom, Christoph SontagJournal of Molecular Graphics & Modelling|October 23, 2012
Toward panchromatic organic functional molecules: density functional theory study on the nature of the broad UV-Vis-NIR spectra of substituted tetra(azulene)porphyrinsDongdong Qi, Lijuan Zhang, Jianzhuang JiangJournal of Molecular Graphics & Modelling|October 23, 2012
Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithmTian Lu, Feiwu ChenJournal of Molecular Graphics & Modelling|October 23, 2012
Toward understanding the molecular basis for chemical allosteric modulator designQi Wang, Mingyue Zheng, Zhimin Huang, et al.Journal of Molecular Graphics & Modelling|October 23, 2012
New statistical boundary conditions for argon-tungsten interactionsM S Ozhgibesov, T S Leu, C H Cheng, et al.Journal of Molecular Graphics & Modelling|October 23, 2012
Computational algorithms for fast-building 3D carbon nanotube models with defectsM Leonor Contreras, Diego Avila, José Alvarez, et al.Journal of Molecular Graphics & Modelling|April 22, 2004
New perspectives on multiple-copy, mean-field molecular dynamics methodsChristopher Adam Hixson, Jermont Chen, Zunnan Huang, et al.Journal of Molecular Graphics & Modelling|September 20, 2005
Exploring protein-ligand recognition with Binding MOADRichard D Smith, Liegi Hu, Jayson A Falkner, et al.Journal of Molecular Graphics & Modelling|September 29, 2005
Flap opening mechanism of HIV-1 proteaseGergely Tóth, Attila BoricsPageof 408