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Drug binding site database security

For of (29%) of those, the phosphorylation site is within 12 Å of the small molecule-binding site, where it would likely alter small molecule binding affinity. We propose a framework for distinguishing between drug-phosphorylation site interactions that are likely to alter the efficacy of drugs Cited by: Although the thermodynamic principles that control the binding of drug molecules to their protein targets are well understood, detailed experimental characterization of the process by which such binding occurs has proven challenging. We conducted relatively long, unguided molecular dynamics simulations in which a ligand (the cancer drug dasatinib or the kinase inhibitor PP1) was initially. About mutLBSgeneDB mutLBSgeneDB is the first database encompassing comprehensive annotations for all genes having ligand binding site mutations. mutLBSgeneDB may contribute to systematic analysis for functional annotations of genes with ligand binding site mutations for cancer and drug research in the precision medicine era.

Drug binding site database security

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