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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 Sezerman
Journal 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 Pennathur
Journal 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 Borson
Journal of Molecular Graphics & Modelling|January 13, 2006
Adsorption equilibria of hydrocarbons in the structure of the reforming catalyst: molecular modelingJerzy Szczygieł, Bartłomiej Szyja
Journal of Molecular Graphics & Modelling|January 13, 2006
Selective pharmacophore design for alpha1-adrenoceptor subtypesIain J A MacDougall, Renate Griffith
Journal of Molecular Graphics & Modelling|January 24, 2006
Homology modeling of human sialidase enzymes NEU1, NEU3 and NEU4 based on the crystal structure of NEU2: hints for the design of selective NEU3 inhibitorsSadagopan Magesh, Tohru Suzuki, Taeko Miyagi, et al.
Journal of Molecular Graphics & Modelling|January 24, 2006
A reactivity index study to monitor the role of solvation on the interaction of the chromophores with amino-functional silanol surface for colorimetric sensorsAbhijit Chatterjee, Tatineni Balaji, Hideyuki Matsunaga, et al.
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