Evolutionary chemical binding similarity
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Despite continued efforts using chemical similarity methods in virtual screening, currently developed approaches suffer from time-consuming multistep procedures and low success rates. We recently developed a machine learning-based chemical binding similarity model considering common structural features from molecules binding to the same, or evolutionarily related targets.
18p vicolorado2711 22-10-2020 14 0 Download
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This work describes two new fatty acid binding proteins (FABPs) identified in the parasite platyhelminth Mesocestoides vogae(syn. corti). The corre-sponding polypeptide chains share 62% identical residues and overall 90% similarity according to clustalx default conditions.
10p media19 05-03-2013 30 2 Download