Add to ORKGWe are optimizing a force-field to be used with our coarsegrained protein model for the recognition of protein -protein binding. We have found that, apart from ranking correctly the ligand-receptor conformations generated in a protein-protein docking algorithm, our model is able to distinguish binding (experimental structure) from nonbinding (false positive) conformations for many complexes. This suggests us that the model could have a good performance in complete cross-docking, a method aimed to recognize the possible binding between any two proteins that are unknown to interact.Peer Reviewe
Molecular docking excels at creating a plethora of potential models of protein-protein complexes. To...
Atomistic models provide a detailed representation of molecular systems, but are sometimes inadequat...
International audienceWe present here the SCORPION - Solvated COaRse-grained Protein interactION - f...
MOTIVATION: To assess whether two proteins will interact under physiological conditions, information...
Background: Knowing the binding site of protein–protein complexes helps understand their function an...
Theoretical prediction of protein structures and dynamics is essential for understanding the molecul...
AbstractProtein-protein association is often accompanied by changes in receptor and ligand structure...
Accurate prediction of protein-ligand interactions and the associated binding affinity is a major ta...
Protein-protein recognition and binding are governed by diffusion, noncovalent forces and conformati...
The detailed understanding of the binding of small molecules to proteins is the key for the developm...
We previously developed Upside, a near-atomic, fast molecular dynamics algorithm for protein folding...
AbstractCoarse graining of protein interactions provides a means of simulating large biological syst...
Large-scale identification of native binding orientations is crucial for understanding the role of p...
AbstractSimple coarse-grained models, such as the Gaussian network model, have been shown to capture...
<div><p>Large-scale identification of native binding orientations is crucial for understanding the r...
Molecular docking excels at creating a plethora of potential models of protein-protein complexes. To...
Atomistic models provide a detailed representation of molecular systems, but are sometimes inadequat...
International audienceWe present here the SCORPION - Solvated COaRse-grained Protein interactION - f...
MOTIVATION: To assess whether two proteins will interact under physiological conditions, information...
Background: Knowing the binding site of protein–protein complexes helps understand their function an...
Theoretical prediction of protein structures and dynamics is essential for understanding the molecul...
AbstractProtein-protein association is often accompanied by changes in receptor and ligand structure...
Accurate prediction of protein-ligand interactions and the associated binding affinity is a major ta...
Protein-protein recognition and binding are governed by diffusion, noncovalent forces and conformati...
The detailed understanding of the binding of small molecules to proteins is the key for the developm...
We previously developed Upside, a near-atomic, fast molecular dynamics algorithm for protein folding...
AbstractCoarse graining of protein interactions provides a means of simulating large biological syst...
Large-scale identification of native binding orientations is crucial for understanding the role of p...
AbstractSimple coarse-grained models, such as the Gaussian network model, have been shown to capture...
<div><p>Large-scale identification of native binding orientations is crucial for understanding the r...
Molecular docking excels at creating a plethora of potential models of protein-protein complexes. To...
Atomistic models provide a detailed representation of molecular systems, but are sometimes inadequat...
International audienceWe present here the SCORPION - Solvated COaRse-grained Protein interactION - f...