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Publication for ReverseScreen3D
Building a virtual ligand screening pipeline using free software: a survey
[…] a ligand against many possible receptor proteins using docking or similarity scoring to their known binders. Fast heuristic approaches for this purpose include idTarget , TarFisDock , INVDOCK , ReverseScreen3D , PharmMapper , SEA , SwissTargetPrediction  and SuperPred .Overall, current in silico ADMETox modelling and prediction methods are still limited in their accuracy and covera […]
An In Silico Insight into Novel Therapeutic Interaction of LTNF Peptide LT10 and Design of Structure Based Peptidomimetics for Putative Anti Diabetic Activity
[…] by subjecting it to Molecular Dynamic Simulation using Desmond (Maestro-Desmond Interoperability Tools, version 3.1, Schrödinger, New York, NY, 2012)The selected LT10 peptide model was subjected to ReverseScreen3D server (http://www.modelling.leeds.ac.uk/ReverseScreen3D/index.html) for prediction of its probable binding partners. ReverseScreen3D is a ligand-based reverse virtual screening tool t […]
Elucidation of molecular targets of bioactive principles of black cumin relevant to its anti tumour functionality An Insilico target fishing approach
[…] The reverse screening strategy in this study has been implemented using three insilico platforms namely, PharmMapper, ReverseScreen3D and TargetHunter. The sdf and .mol2 formats of the bioactive constituents of N.sativa i.e. Thymoquinone, Alpha-hederin, Dithymoquinone and Thymohydroquinone were submitted to the th […]
Insights into an Original Pocket Ligand Pair Classification: A Promising Tool for Ligand Profile Prediction
[…] gands are positioned in a library of pockets –. Pharmacophore models based on the 3D structures of protein-ligand complexes can also be used as well as hybrid 2D/3D target prediction methods such as ReverseScreen3D . Comparison of binding pockets can be carried out with the aim of exploring the relationship with the corresponding ligands requiring or not the 3D structures of the targets –. To dat […]
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