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Journal of Molecular Graphics & Modelling|December 1, 2016
Homology modeling and molecular dynamics simulation of the HIF2α degradation-related HIF2α-VHL complexXiaotian Dong, Xiaoru Su, Jiong Yu, et al.Journal of Molecular Graphics & Modelling|December 4, 2016
The effects of fluorine substitution on the chemical properties and inhibitory capacity of Donepezil anti-Alzheimer drug; density functional theory and molecular docking calculationsAzita Khosravan, Safora Marani, Mohammad Sadegh Sadeghi GoogheriJournal of Molecular Graphics & Modelling|October 25, 2016
In silico identification and computational analysis of the nucleotide binding site in the C-terminal domain of Hsp90Samir S Roy, Manju KapoorJournal of Molecular Graphics & Modelling|May 6, 2014
Voxel based parallel post processor for void nucleation and growth analysis of atomistic simulations of material fractureH Hemani, M Warrier, N Sakthivel, et al.Journal of Molecular Graphics & Modelling|October 18, 2016
A molecular dynamics study of the BACE1 conformational change from Apo to closed form induced by hydroxyethylamine derived compoundsCarlos Gueto-Tettay, Joshua Zuchniarz, Yeyson Fortich-Seca, et al.Journal of Molecular Graphics & Modelling|November 5, 2016
Chemogenomics knowledgebase and systems pharmacology for hallucinogen target identification-Salvinorin A as a case studyXiaomeng Xu, Shifan Ma, Zhiwei Feng, et al.Journal of Molecular Graphics & Modelling|November 16, 2016
In silico target prediction for elucidating the mode of action of herbicides including prospective validationRucha K Chiddarwar, Sebastian G Rohrer, Antje Wolf, et al.Journal of Molecular Graphics & Modelling|February 8, 2017
First protein drug target's appraisal of lead-likeness descriptors to unfold the intervening chemical spaceMohd Athar, Mohsin Y Lone, Prakash C JhaJournal of Molecular Graphics & Modelling|January 17, 2017
Antiviral drug acyclovir exhibits antitumor activity via targeting βTrCP1: Molecular docking and dynamics simulation studyShagufta Shafique, Sajid RashidJournal of Molecular Graphics & Modelling|August 23, 2003
Docking studies of matrix metalloproteinase inhibitors: zinc parameter optimization to improve the binding free energy predictionXin Hu, William H ShelverPageof 408