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The similarity between protein docking and helix helix packing is used and the protein docking procedure GRAMM is applied to the matching of helices in the TM bundle.
Here, we apply protein docking simulations and analysis of the interaction energy landscapes to identify protein protein interaction sites.
Force field and grid parameters for rigid protein docking and further refinement with flexible protein side-chain were taken as in [4].
Rosetta@home is also used in protein docking prediction, which determines the structure of multiple complexed proteins, or quaternary structure.
The subunits are first detached and then re-docked by a protein docking method.
Using MOE, we attempted to model haem-bovine ANT (PDB code: 1OKC [8]) protein docking.
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A key goal in protein-protein docking is to identify near-native protein-complex structures.
The rigid-body protein-protein docking program ZDOCK was then used to map the antigen-antibody contact sites.
The accuracy of ligand-protein docking may be affected by the presence of water molecules on the surface of proteins.
Protein-protein docking is the prediction of the structure of the complex, given the structures of the individual proteins.
The computational small molecule-protein docking analysis illustrated the possible interaction between compound 9 and RNA polymerase II.
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