Identification of protein-ligand interaction networks on a proteome scale is crucial to address a wide range of biological problems such as correlating molecular functions to physiological processes and designing safe and efficient therapeutics. We have developed a novel computational strategy to identify ligand binding profiles of proteins across gene families and applied it to predicting protein functions, elucidating molecular mechanisms of drug adverse effects, and repositioning safe pharmaceuticals to treat different diseases
Characterizing all possible side effects of compounds is not a trivial task due to unknown off-targe...
Characterizing all possible side effects of compounds is not a trivial task due to unknown off-targe...
SummaryInverse ligand binding prediction utilizes a few protein-ligand (drug) complexes to predict o...
<p>(A) Distribution of existing drug targets, PDB structures, and homology models in the human genom...
The identification of protein function based on biological information is an area of intense researc...
Most of the cellular functions are driven by small-molecules that selectively bind to their protein...
Most of the cellular functions are driven by small-molecules that selectively bind to their protein...
The drug discovery and development is a very complex, time and cost intensive process with multiple...
Recent advances in structural bioinformatics have enabled the prediction of protein-drug off-targets...
Recent advances in structural bioinformatics have enabled the prediction of protein-drug off-targets...
Off-target binding is one of the primary causes of toxic side effects of drugs in clinical developme...
Recent advances in structural bioinformatics have enabled the prediction of protein-drug off-targets...
The identification of protein function based on biological information is an area of intense researc...
Characterizing all possible side effects of compounds is not a trivial task due to unknown off-targe...
Understanding protein and ligand interactions is fundamental to treat disease and avoid toxicity in ...
Characterizing all possible side effects of compounds is not a trivial task due to unknown off-targe...
Characterizing all possible side effects of compounds is not a trivial task due to unknown off-targe...
SummaryInverse ligand binding prediction utilizes a few protein-ligand (drug) complexes to predict o...
<p>(A) Distribution of existing drug targets, PDB structures, and homology models in the human genom...
The identification of protein function based on biological information is an area of intense researc...
Most of the cellular functions are driven by small-molecules that selectively bind to their protein...
Most of the cellular functions are driven by small-molecules that selectively bind to their protein...
The drug discovery and development is a very complex, time and cost intensive process with multiple...
Recent advances in structural bioinformatics have enabled the prediction of protein-drug off-targets...
Recent advances in structural bioinformatics have enabled the prediction of protein-drug off-targets...
Off-target binding is one of the primary causes of toxic side effects of drugs in clinical developme...
Recent advances in structural bioinformatics have enabled the prediction of protein-drug off-targets...
The identification of protein function based on biological information is an area of intense researc...
Characterizing all possible side effects of compounds is not a trivial task due to unknown off-targe...
Understanding protein and ligand interactions is fundamental to treat disease and avoid toxicity in ...
Characterizing all possible side effects of compounds is not a trivial task due to unknown off-targe...
Characterizing all possible side effects of compounds is not a trivial task due to unknown off-targe...
SummaryInverse ligand binding prediction utilizes a few protein-ligand (drug) complexes to predict o...