<p>Pockets found where a bound ligand would disrupt a protein-protein interaction are shown in the blue circle, and pockets found where a bound ligand would disrupt a protein-ligand interaction are shown in red. The overlap region shown in purple indicates where a protein or structure contains a pocket at both a protein-ligand and protein-protein interface. The blue region indicates proteins or structures containing only protein-protein interfacial pockets, and the red region indicates proteins or structures containing only protein-ligand pockets. Ligands are defined as any molecule with molecular weight ≤1000 kDa.</p
<p>(<b>A</b>) Bcl-X<sub>L</sub> (<i>grey surface</i>) is shown in complex with an inhibitor (<i>blue...
Protein-ligand interactions form the basis of most cellular events. Identifying ligand binding pocke...
Despite intense interest and considerable effort via high-throughput screening, there are few exampl...
Small molecules that bind at protein-protein interfaces may either block or stabilize protein-protei...
<div><p>Small molecules that bind at protein-protein interfaces may either block or stabilize protei...
<p>The top layer divides protein-ligand complexes into 5 major groups based on the type of the ligan...
Small molecules that bind at protein-protein interfaces may either block or stabilize protein-protei...
<div><p>Many biological activities originate from interactions between small-molecule ligands and th...
We have developed a new computational algorithm for de novo identification of protein-ligand bindin...
<p>(<b>A–D</b>) Each panel is composed of three snapshots. On the left is the APoc superimposition o...
<p>Each vertex represents one pocket. Vertices are connected if the pockets are located in similar r...
Molecular surfaces of proteins and other biomolecules, while modeled as smooth analytic interfaces s...
AbstractCoincidence of the properties of ligand binding pockets in native proteins with those in pro...
Rational design for chemical compounds targeting protein-protein interactions has grown from a dream...
<p>Displayed are EXPOSITE predictions of nine proteins (A) 1inc, (B) 1bid, (C) 1hew, (D) 1hfc, (E) 1...
<p>(<b>A</b>) Bcl-X<sub>L</sub> (<i>grey surface</i>) is shown in complex with an inhibitor (<i>blue...
Protein-ligand interactions form the basis of most cellular events. Identifying ligand binding pocke...
Despite intense interest and considerable effort via high-throughput screening, there are few exampl...
Small molecules that bind at protein-protein interfaces may either block or stabilize protein-protei...
<div><p>Small molecules that bind at protein-protein interfaces may either block or stabilize protei...
<p>The top layer divides protein-ligand complexes into 5 major groups based on the type of the ligan...
Small molecules that bind at protein-protein interfaces may either block or stabilize protein-protei...
<div><p>Many biological activities originate from interactions between small-molecule ligands and th...
We have developed a new computational algorithm for de novo identification of protein-ligand bindin...
<p>(<b>A–D</b>) Each panel is composed of three snapshots. On the left is the APoc superimposition o...
<p>Each vertex represents one pocket. Vertices are connected if the pockets are located in similar r...
Molecular surfaces of proteins and other biomolecules, while modeled as smooth analytic interfaces s...
AbstractCoincidence of the properties of ligand binding pockets in native proteins with those in pro...
Rational design for chemical compounds targeting protein-protein interactions has grown from a dream...
<p>Displayed are EXPOSITE predictions of nine proteins (A) 1inc, (B) 1bid, (C) 1hew, (D) 1hfc, (E) 1...
<p>(<b>A</b>) Bcl-X<sub>L</sub> (<i>grey surface</i>) is shown in complex with an inhibitor (<i>blue...
Protein-ligand interactions form the basis of most cellular events. Identifying ligand binding pocke...
Despite intense interest and considerable effort via high-throughput screening, there are few exampl...