Evaluation of reduced point charge models of proteins through Molecular Dynamics simulations: Application to the Vps27 UIM-1–Ubiquitin complex

Author:

Leherte Laurence,Vercauteren Daniel P.

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference48 articles.

1. Implementation of a protein reduced point charge model towards Molecular Dynamics applications;Leherte;J. Phys. Chem. A,2011

2. S. Cranford, M.J. Buehler, Coarse-graining parametrization and multiscale simulation of hierarchical systems. Part I: theory and model formulation, in: P. Derosa, T. Cagin (Eds.), Multiscale Modeling: From Atoms to Devices, CRC Press, Boca Raton, FL, USA, 2010, pp. 13–34.

3. Multiscale modeling of proteins;Tozzini;Acc. Chem. Res.,2010

4. Coarse-graining of multiprotein assemblies;Saunders;Curr. Opin. Struct. Biol.,2012

5. A review of physics-based coarse-grained potentials for the simulations of protein structure and dynamics;Shen;Annu. Rep. Comput. Chem.,2012

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