| Autor: |
Mj, Sternberg, Aloy P, Henry Gabb, Rm, Jackson, Moont G, Querol E, Fx, Aviles |
| Předmět: |
|
| Zdroj: |
Europe PubMed Central |
| Popis: |
A computational system is described that predicts the structure of protein/protein and protein/DNA complexes starting from unbound coordinate sets. The approach is (i) a global search with rigid-body docking for complexes with shape complementarity and favourable electrostatics; (ii) use of distance constraints from experimental (or predicted) knowledge of critical residues; (iii) use of pair potential to screen docked complexes and (iv) refinement and further screening by protein-side chain optimisation and interfacial energy minimisation. The system has been applied to model ten protein/protein and eight protein-repressor/DNA (steps i to iii only) complexes. In general a few complexes, one of which is close to the true structure, can be generated. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
|
