Replica Exchange with Repulsive Scaling

We have extended a replica-exchange-based scheme employing different levels of a repulsive biasing between partners in each replica simulation (RS-REMD) to simultaneously refine and score protein–protein complexes.
The bias acts specifically on the intermolecular interactions based on an increase in effective pairwise van der Waals radii (repulsive scaling (RS)-REMD) without affecting interactions within each protein or with the solvent.

The submission is demonstrated in the tutorial.

Please cite these references if you use the server in your research:
Efficient Refinement and Free Energy Scoring of Predicted Protein–Protein Complexes Using Replica Exchange with Repulsive Scaling , Till Siebenmorgen and Martin Zacharias .