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Journal of Molecular Graphics & Modelling|July 30, 2011
Prediction of probable mutations in influenza virus hemagglutinin protein based on large-scale ab initio fragment molecular orbital calculationsAkio Yoshioka, Kaori Fukuzawa, Yuji Mochizuki, et al.Journal of Molecular Graphics & Modelling|July 30, 2011
QM and QM/MD simulations of the Vinca alkaloids docked to tubulinEvan B Kelly, Jack A Tuszynski, M KlobukowskiJournal of Molecular Graphics & Modelling|July 30, 2011
The design and inhibitory profile of new benzimidazole derivatives against triosephosphate isomerase from Trypanosoma cruzi: a problem of residue motilityAntonio Romo-Mancillas, Alfredo Téllez-Valencia, Lilián Yépez-Mulia, et al.Journal of Molecular Graphics & Modelling|February 11, 2012
Construction of a robust, large-scale, collaborative database for raw data in computational chemistry: the Collaborative Chemistry Database Tool (CCDBT)Mingyang Chen, Amanda C Stott, Shenggang Li, et al.Journal of Molecular Graphics & Modelling|September 24, 2011
Protein-ligand docking guided by ligand pharmacophore-mapping experiment by NMRYoshifumi Fukunishi, Yumiko Mizukoshi, Koh Takeuchi, et al.Journal of Molecular Graphics & Modelling|August 22, 2018
Computational drug repurposing to predict approved and novel drug-disease associationsZoya Khalid, Osman Ugur SezermanJournal of Molecular Graphics & Modelling|September 19, 2018
Structural investigation of the enantioselectivity and thermostability mechanisms of esterase RhEst1Qi Chen, Hui-Lei Yu, Xiaolin Cheng, et al.Journal of Molecular Graphics & Modelling|September 19, 2018
Understanding domain movements and interactions of Pseudomonas aeruginosa lipase with lipid molecule tristearoyl glycerol: A molecular dynamics approachKothai Thiruvengadam, Sarath Kumar Baskaran, Gautam PennathurJournal of Molecular Graphics & Modelling|September 19, 2018
Quantitative structure-activity relationship of the thymidylate synthase inhibitors of Mus musculus in the series of quinazolin-4-one and quinazolin-4-imine derivativesVeronika R Khairullina, Alfiya R Gimadieva, Anatoly Ya Gerchikov, et al.Journal of Molecular Graphics & Modelling|August 10, 2000
Patenting inventions in combinatorial chemistryD B BorsonPageof 401