Article ID Journal Published Year Pages File Type
5382997 Chemical Physics Letters 2012 6 Pages PDF
Abstract
► The CMAP grid of the CHARMM22 protein force field is transformed for d-residues. ► Simulations of d-residues are assessed with no correction and with l- and d-CMAP. ► d-CMAP leads to sampling of conformations closer to experimental structures. ► l-CMAP destabilises β-sheets and β-turns. ► Parameters for d-CMAP are available in the Supplementary material.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Transformation of the dihedral corrective map for d-amino residues using the CHARMM force field
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