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Explicit-solvent molecular dynamics simulations revealed conformational regain and aggregation inhibition of I113T SOD1 by Himalayan bioactive molecules

Sachin Kumar, Vijay Kumar Bhardwaj, Rahul Singh, Rituraj Purohit

2021Journal of Molecular Liquids29 citationsDOI

Topics & Concepts

ChemistryBiophysicsMolecular dynamicsDocking (animal)SOD1BiochemistrySmall moleculeStereochemistrySuperoxide dismutaseAntioxidantBiologyComputational chemistryNursingMedicineAmyotrophic Lateral Sclerosis Researchbiodegradable polymer synthesis and propertiesSynthetic Organic Chemistry Methods
Explicit-solvent molecular dynamics simulations revealed conformational regain and aggregation inhibition of I113T SOD1 by Himalayan bioactive molecules | Litcius