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Proposing novel TNFα direct inhibitor Scaffolds using fragment-docking based e-pharmacophore modeling and binary QSAR-based virtual screening protocols pipeline

Article ID Journal Published Year Pages File Type
11002462 Journal of Molecular Graphics and Modelling 2018 11 Pages PDF
Keywords
TNFαRheumatoid arthritis (RA)blood brain barrierMolecular dynamics (MD) simulationToxicity predictionMolecular docking
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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Proposing novel TNFα direct inhibitor Scaffolds using fragment-docking based e-pharmacophore modeling and binary QSAR-based virtual screening protocols pipeline
Authors
Mehreen Zaka, Bilal Haider Abbasi, Serdar Durdagi,
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Journal
Journal of Molecular Graphics and Modelling
Journal: Journal of Molecular Graphics and Modelling
Related Categories
TNFα
Rheumatoid arthritis (RA)
blood brain barrier
Molecular dynamics (MD) simulation
Toxicity prediction
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