Small-molecules that inhibit interactions between specific pairs of proteins have long represented a promising avenue for therapeutic intervention in a variety of settings. Structural studies have shown that in many cases, the inhibitor-bound protein adopts a conformation that is distinct from its unbound and its protein-bound conformations. This plasticity of the protein surface presents a major challenge in predicting which members of a protein family will be inhibited by a given ligand. Here, we use biased simulations of Bcl-2-family proteins to generate ensembles of low-energy conformations that contain surface pockets suitable for small molecule binding. We find that the resulting conformational ensembles include surface pockets that m...
Small molecules that bind at protein-protein interfaces may either block or stabilize protein-protei...
The ability to design drugs that disrupt formation of protein-protein interfaces is of particular in...
Small molecules that bind at protein-protein interfaces may either block or stabilize protein-protei...
Small-molecules that inhibit interactions between specific pairs of proteins have long represented a...
<div><p>Small-molecules that inhibit interactions between specific pairs of proteins have long repre...
Small-molecules that inhibit interactions between specific pairs of proteins have long repre-sented ...
Despite intense interest and considerable effort via high-throughput screening, there are few exampl...
Despite intense interest and considerable effort via high-throughput screening, there are few exampl...
Because of their ubiquitous nature in many cellular processes, modulating protein-protein interactio...
Despite intense interest and considerable effort via high-throughput screening, there are few exampl...
The binding affinity of a protein–protein interaction is concentrated at amino acids known as hot sp...
Modulating protein interaction pathways may lead to the cure of many diseases. Known protein–protein...
Traditional drug targets have historically included signaling proteins that respond to small-molecul...
Traditional drug targets have historically included signaling proteins that respond to small-molecul...
Over the past decade, researchers in the pharmaceutical industry and academia have made retrospectiv...
Small molecules that bind at protein-protein interfaces may either block or stabilize protein-protei...
The ability to design drugs that disrupt formation of protein-protein interfaces is of particular in...
Small molecules that bind at protein-protein interfaces may either block or stabilize protein-protei...
Small-molecules that inhibit interactions between specific pairs of proteins have long represented a...
<div><p>Small-molecules that inhibit interactions between specific pairs of proteins have long repre...
Small-molecules that inhibit interactions between specific pairs of proteins have long repre-sented ...
Despite intense interest and considerable effort via high-throughput screening, there are few exampl...
Despite intense interest and considerable effort via high-throughput screening, there are few exampl...
Because of their ubiquitous nature in many cellular processes, modulating protein-protein interactio...
Despite intense interest and considerable effort via high-throughput screening, there are few exampl...
The binding affinity of a protein–protein interaction is concentrated at amino acids known as hot sp...
Modulating protein interaction pathways may lead to the cure of many diseases. Known protein–protein...
Traditional drug targets have historically included signaling proteins that respond to small-molecul...
Traditional drug targets have historically included signaling proteins that respond to small-molecul...
Over the past decade, researchers in the pharmaceutical industry and academia have made retrospectiv...
Small molecules that bind at protein-protein interfaces may either block or stabilize protein-protei...
The ability to design drugs that disrupt formation of protein-protein interfaces is of particular in...
Small molecules that bind at protein-protein interfaces may either block or stabilize protein-protei...