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Journal of Molecular Modeling|August 17, 2010
Experimental and computational studies indicate the mutation of Glu12 to increase the thermostability of oligomeric protease from Pyrococcus horikoshiiDongling Zhan, Weiwei Han, Yan FengJournal of Molecular Modeling|February 9, 2011
The structure of percolated polymer systems: a computer simulation studyAndrzej Sikorski, Piotr Polanowski, Piotr Adamczyk, et al.Journal of Molecular Modeling|February 9, 2011
Analysis of clinically relevant substrates of CYP2B6 enzyme by computational methodsRui-Juan Niu, Qing-Chuan Zheng, Ji-Long Zhang, et al.Journal of Molecular Modeling|February 9, 2011
Hydrogen bonds determine the structures of the ternary heterocyclic complexes C₂H₄O···2HF, C₂H₅N···2HF and C₂H₄S···2HF: density functional theory and topological calculationsBoaz G Oliveira, Regiane C M U Araújo, Antônio B Carvalho, et al.Journal of Molecular Modeling|February 4, 2009
Low-frequency vibrational modes and infrared absorbance of red, blue and green opsinSaravana Prakash Thirumuruganandham, Herbert M UrbassekJournal of Molecular Modeling|February 18, 2009
Adsorption of CO on Cu (110) and (100) surfaces using COSMO-based DFTZhijun Zuo, Wei Huang, Peide Han, et al.Journal of Molecular Modeling|February 10, 2009
Mimicking direct protein-protein and solvent-mediated interactions in the CDP-methylerythritol kinase homodimer: a pharmacophore-directed virtual screening approachVictor Giménez-Oya, Oscar Villacañas, Xavier Fernàndez-Busquets, et al.Journal of Molecular Modeling|December 2, 2008
Structural studies of shikimate dehydrogenase from Bacillus anthracis complexed with cofactor NADPGuy Barros Barcellos, Rafael Andrade Caceres, Walter Filgueira de AzevedoJournal of Molecular Modeling|November 3, 2010
A homology model for Clostridium difficile methionyl tRNA synthetase: active site analysis and docking interactionsEhab Al-Moubarak, Claire SimonsJournal of Molecular Modeling|September 15, 2010
Electronic structure and PCA analysis of covalent and non-covalent acetylcholinesterase inhibitorsErica Cristina Moreno Nascimento, João B L MartinsPageof 693