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Journal of Molecular Modeling|December 24, 2005
The design of organic catalysis for epoxidation by hydrogen peroxideRoger W Alder, Anthony P DavisJournal of Molecular Modeling|November 20, 2009
Are density functional theory predictions of the Raman spectra accurate enough to distinguish conformational transitions during amyloid formation?Workalemahu Mikre Berhanu, Ivan A Mikhailov, Artëm E MasunovJournal of Molecular Modeling|November 3, 2009
Homology modelling of a sensor histidine kinase from Aeromonas hydrophilaMobashar Hussain Urf Turabe Fazil, Sunil Kumar, Naidu Subbarao, et al.Journal of Molecular Modeling|November 27, 2009
Molecular modeling of dissociative and non-dissociative chemisorption of nitrosamine on close-ended and open-ended pristine and Stone-Wales defective (5,5) armchair single-walled carbon nanotubesVithaya RuangpornvisutiJournal of Molecular Modeling|December 31, 2009
Improving performance of docking-based virtual screening by structural filtrationFedor N Novikov, Viktor S Stroylov, Oleg V Stroganov, et al.Journal of Molecular Modeling|November 13, 2009
Characterization of the binding of angiotensin II receptor blockers to human serum albumin using docking and molecular dynamics simulationJinyu Li, Xiaolei Zhu, Cao Yang, et al.Journal of Molecular Modeling|November 13, 2009
Effect of pathogenic mutations on the structure and dynamics of Alzheimer's A beta 42-amyloid oligomersKristin Kassler, Anselm H C Horn, Heinrich StichtJournal of Molecular Modeling|December 17, 2009
Theoretical study on the molecular and electronic properties of some substances used for diabetes mellitus treatmentVinicius G Maltarollo, Paula Homem-de-Mello, Kathia M HonórioJournal of Molecular Modeling|December 17, 2009
Density functional studies of the substituent effect on absorption and emission properties of 1, 8-naphthalimide derivativesQi Qi, Yongquan Ha, Yueming SunJournal of Molecular Modeling|December 17, 2009
Mechanism of CDK5 activation revealed by steered molecular dynamics simulations and energy calculationsBing Zhang, Zhou Cheng Su, Tong Earn Tay, et al.Pageof 708