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Journal of Molecular Graphics & Modelling|November 13, 2010
Application of partial least squares and radial basis function neural networks in multivariate imaging analysis-quantitative structure activity relationship: study of cyclin dependent kinase 4 inhibitorsLotfollah Saghaie, Mohsen Shahlaei, Armin Madadkar-Sobhani, et al.Journal of Molecular Graphics & Modelling|November 16, 2010
A rapid computational filter for predicting the rate of human renal clearanceStuart W Paine, Patrick Barton, James Bird, et al.Journal of Molecular Graphics & Modelling|November 16, 2010
The binding modes and binding affinities of epipodophyllotoxin derivatives with human topoisomerase IIαPradeep Kumar Naik, Abhishek Dubey, Komal Soni, et al.Journal of Molecular Graphics & Modelling|November 2, 2010
Theoretical study on the electronic absorption spectra and molecular orbitals of ten novel ruthenium sensitizers derived from N3 and K8Ping Guo, Ruimin Ma, Lianshun Guo, et al.Journal of Molecular Graphics & Modelling|February 22, 2011
Generation and validation of the first predictive pharmacophore model for cyclin-dependent kinase 9 inhibitorsCheng Fang, Zhiyan Xiao, Zongru GuoJournal of Molecular Graphics & Modelling|January 29, 2011
Development of quantitative structure-activity relationships for explanatory modeling of fast reacting (meth)acrylate monomers bearing novel functionalityJason A Morrill, Joedd H Biggs, Christopher N Bowman, et al.Journal of Molecular Graphics & Modelling|December 21, 2010
Improving the description of salt bridge strength and geometry in a Generalized Born modelYi Shang, Hai Nguyen, Lauren Wickstrom, et al.Journal of Molecular Graphics & Modelling|December 17, 2010
Understanding the effects of carbocyclic sugars constrained to north and south conformations on RNA nanodesignTaejin Kim, Joseph J Barchi, Victor E Marquez, et al.Journal of Molecular Graphics & Modelling|January 11, 2011
Stability tests on known and misfolded structures with discrete and all atom molecular dynamics simulationsSijung Yun, H Robert GuyJournal of Molecular Graphics & Modelling|January 11, 2011
Density functional theory studies on the structures and electronic communication of meso-ferrocenylporphyrins: long range orbital coupling via porphyrin coreLijuan Zhang, Dongdong Qi, Yuexing Zhang, et al.Pageof 408