112 research outputs found
Interaction of meropenem with ‘N’ and ‘B’ isoforms of human serum albumin: a spectroscopic and molecular docking study
No full textIdentification of potential isoform-selective histone deacetylase inhibitors for cancer therapy: a combined approach of structure-based virtual screening, ADMET prediction and molecular dynamics simulation assay
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Enhanced Coarse-Graining of Thermoplastic Polyurethane Elastomer for Multiscale Modeling
No full textFirst-principles calculations of the electronic, optical and elastic properties of CdIn 2
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Anionic polyelectrolyte poly(acrylic acid) (PAA) chain shrinkage in water–ethanol solution in presence of Li +
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