Chemical Physics Letters, Vol.495, No.1-3, 151-154, 2010
Hydrogen bonds rebuilt by polarized protein-specific charges
Three novel schemes on the basis of newly developed polarized protein-specific charge (PPC) have been proposed to refine the structure of staphylococcal nuclease generated by AMBER simulation. The performance of the refinement is analyzed in term of the stability and the recovery of intra-protein hydrogen bonds. (C) 2010 Elsevier B.V. All rights reserved.