Small molecules are essential tool compounds to probe the role of proteins in biology and advance toward more efficient therapeutics. However, they are used without a complete knowledge of their selectivity across the entire proteome, at risk of confounding their effects due to unknown off-target interactions. Current state-of-the-art computational approaches to predicting the affinity profile of small molecules offer a means to anticipate potential nonobvious selectivity liabilities of chemical probes. The application of <i>in silico</i> target profiling on the full set of chemical probes from the NIH Molecular Libraries Program (MLP) resulted in the identification of biologically relevant <i>in vitro</i> affinities for proteins distantly ...
Medical community and pharmaceutical companies are currently facing a dire need for discovery and id...
Motivation: Predicting interactions between small molecules and proteins is a crucial step to deciph...
In this dissertation, I present several strategies to leverage experimental data towards a quantitat...
Small molecules are essential tool compounds to probe the role of proteins in biology and advance to...
A powerful early approach to evaluating the druggability of proteins involved determining the hit ra...
Chemical methods that allow for the targeted labelling of a specific protein within a complex biolog...
The biomedical and pharmaceutical communities are experiencing a growing demand for new druggable ta...
Most small-molecule probes and drugs alter cell circuitry by interacting with 1 or more proteins. A ...
Biologically active small molecules have a central role in drug development, and as chemical probes ...
Motivation: Predicting interactions between small molecules and proteins is a crucial step to deciph...
T he elucidation of the precise biological mode ofaction of small molecules remains a consider-able ...
Potent, selective and broadly characterized small molecule modulators of protein function (chemical ...
Chemical probes are of central relevance for chemical biology. To unambiguously explore the role of ...
Potent, selective and broadly characterized small molecule modulators of protein function (chemical ...
International audienceMOTIVATION: Predicting interactions between small molecules and proteins is a ...
Medical community and pharmaceutical companies are currently facing a dire need for discovery and id...
Motivation: Predicting interactions between small molecules and proteins is a crucial step to deciph...
In this dissertation, I present several strategies to leverage experimental data towards a quantitat...
Small molecules are essential tool compounds to probe the role of proteins in biology and advance to...
A powerful early approach to evaluating the druggability of proteins involved determining the hit ra...
Chemical methods that allow for the targeted labelling of a specific protein within a complex biolog...
The biomedical and pharmaceutical communities are experiencing a growing demand for new druggable ta...
Most small-molecule probes and drugs alter cell circuitry by interacting with 1 or more proteins. A ...
Biologically active small molecules have a central role in drug development, and as chemical probes ...
Motivation: Predicting interactions between small molecules and proteins is a crucial step to deciph...
T he elucidation of the precise biological mode ofaction of small molecules remains a consider-able ...
Potent, selective and broadly characterized small molecule modulators of protein function (chemical ...
Chemical probes are of central relevance for chemical biology. To unambiguously explore the role of ...
Potent, selective and broadly characterized small molecule modulators of protein function (chemical ...
International audienceMOTIVATION: Predicting interactions between small molecules and proteins is a ...
Medical community and pharmaceutical companies are currently facing a dire need for discovery and id...
Motivation: Predicting interactions between small molecules and proteins is a crucial step to deciph...
In this dissertation, I present several strategies to leverage experimental data towards a quantitat...