SURPASS Low-Resolution Coarse-Grained Protein Modeling.Coarse-grained modeling of biomolecules has a very important role in molecular biology.  In this work we present a novel SURPASS (Single United Residue per Pre-Averaged Secondary Structure fragment) model of proteins that can be an interesting alternative for existing coarse-grained models.  Using the Replica Exchange Monte Carlo sampling scheme and a generic version of the SURPASS force field we performed test simulations of a representative set of single-domain globular proteins.  Future extension of the SURPASS model on large biomacromolecular systems is briefly discussed.
SURPASS
SURPASS Low-Resolution Coarse-Grained Protein Modeling.Coarse-grained modeling of biomolecules has a very important role in molecular biology.  In this work we present a novel SURPASS (Single United Residue per Pre-Averaged Secondary Structure fragment) model of proteins that can be an interesting alternative for existing coarse-grained models.  Using the Replica Exchange Monte Carlo sampling scheme and a generic version of the SURPASS force field we performed test simulations of a representative set of single-domain globular proteins.  Future extension of the SURPASS model on large biomacromolecular systems is briefly discussed.
SURPASS
SURPASS Low-Resolution Coarse-Grained Protein Modeling.Coarse-grained modeling of biomolecules has a very important role in molecular biology.  In this work we present a novel SURPASS (Single United Residue per Pre-Averaged Secondary Structure fragment) model of proteins that can be an interesting alternative for existing coarse-grained models.  Using the Replica Exchange Monte Carlo sampling scheme and a generic version of the SURPASS force field we performed test simulations of a representative set of single-domain globular proteins.  Future extension of the SURPASS model on large biomacromolecular systems is briefly discussed.
SURPASS