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Journal of Molecular Graphics & Modelling|May 20, 2008
Pharao: pharmacophore alignment and optimizationJonatan Taminau, Gert Thijs, Hans De WinterJournal of Molecular Graphics & Modelling|March 26, 2014
In silico investigation of medicinal spectrum of imidazo-azines from the perspective of multitarget screening against malaria, tuberculosis and Chagas diseaseManoj Kumar, Barnita Makhal, Vinod Kumar Gupta, et al.Journal of Molecular Graphics & Modelling|March 20, 2014
Effect of ligand binding on the dynamics of trypsin. Comparison of different approachesElena Ermakova, Rauf KurbanovJournal of Molecular Graphics & Modelling|January 9, 2017
First principles study for the key electronic, optical and nonlinear optical properties of novel donor-acceptor chalconesShabbir Muhammad, Abdullah G Al-Sehemi, Zhongmin Su, et al.Journal of Molecular Graphics & Modelling|January 9, 2017
Accuracy comparison of several common implicit solvent models and their implementations in the context of protein-ligand bindingE V Katkova, A V Onufriev, B Aguilar, et al.Journal of Molecular Graphics & Modelling|January 9, 2017
Novel flavonol analogues as potential inhibitors of JMJD3 histone demethylase-A study based on molecular modellingSanchari Basu Mallik, Aravinda Pai, Rekha R Shenoy, et al.Journal of Molecular Graphics & Modelling|February 5, 2017
Molecular modeling, simulation and docking study of ebola virus glycoproteinNasir Ahmad, Aqsa Farman, Syed Lal Badshah, et al.Journal of Molecular Graphics & Modelling|February 25, 2006
A combined in silico strategy to describe the variation of some 3D molecular properties of beta-cyclodextrin due to the formation of inclusion complexesGiuseppe Ermondi, Claudio Anghilante, Giulia CaronJournal of Molecular Graphics & Modelling|March 3, 2006
Prediction of carbon-13 NMR chemical shift of alkanes with rooted path vectorL P Zhou, L L Sun, Y Yu, et al.Journal of Molecular Graphics & Modelling|December 7, 2007
Identification of ligand features essential for HDACs inhibitors by pharmacophore modelingYa-Dong Chen, Yong-Jun Jiang, Jian-Wei Zhou, et al.Pageof 400