Abstract
Virtual ligand screening (VLS) is an in silico technology used for the productive and
cost effective search for novel hit or lead compounds. VLS can be divided into rigid
body docking (e.g. FRED) and flexible body docking (e.g. Surflex) procedures. Theoretically, rigid body docking VLS is fast but less accurate whereas flexible
docking VLS is more accurate but time consuming. The target (e.g. protein) for VLS is dynamic in nature and can adopt different conformations.
cost effective search for novel hit or lead compounds. VLS can be divided into rigid
body docking (e.g. FRED) and flexible body docking (e.g. Surflex) procedures. Theoretically, rigid body docking VLS is fast but less accurate whereas flexible
docking VLS is more accurate but time consuming. The target (e.g. protein) for VLS is dynamic in nature and can adopt different conformations.
Original language | English |
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Publication status | Published - 1 Jan 2012 |
Event | Conference of Netherlands Society on Biomolecular Modelling (NSBM) and Netherlands Bioinformatics Centre (NBIC) - Duration: 25 Apr 2012 → 25 Apr 2012 |
Conference
Conference | Conference of Netherlands Society on Biomolecular Modelling (NSBM) and Netherlands Bioinformatics Centre (NBIC) |
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Period | 25/04/12 → 25/04/12 |