Optimizing a coarse-grained model for the recognition of protein-protein binding
Tipus de documentText en actes de congrés
EditorBarcelona Supercomputing Center
Condicions d'accésAccés obert
We 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.
CitacióEmperador, Agustí; Orozco, Modesto. Optimizing a coarse-grained model for the recognition of protein-protein binding. A: "BSC Doctoral Symposium (2nd: 2015: Barcelona)". 2nd ed. Barcelona: Barcelona Supercomputing Center, 2015, p. 61-62.