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
Topics & Concepts
ChemistryBiophysicsMolecular dynamicsDocking (animal)SOD1BiochemistrySmall moleculeStereochemistrySuperoxide dismutaseAntioxidantBiologyComputational chemistryNursingMedicineAmyotrophic Lateral Sclerosis Researchbiodegradable polymer synthesis and propertiesSynthetic Organic Chemistry Methods