Sökning: "Sabia Nawsheen"

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  1. 1. Evaluation of Fragment-Based Virtual Screening by Applying Docking on Fragments obtained from Optimized Ligands

    Master-uppsats, Uppsala universitet/Institutionen för läkemedelskemi

    Författare :Sabia Nawsheen; [2021]
    Nyckelord :Fragments; virtual screening; Glide; docking;

    Sammanfattning : Fragment-based virtual screening is an in-silico method that potentially identifies new startingpoints for drug molecules and provides an inexpensive and fast exploration of the relevantchemical space compared to its experimental counterpart. It focuses on docking small potentialbinding fragments to a binding pocket and is used to design improved binders by growing thefragments or joining fragments using suitable linkers. LÄS MER