Title

Improving an all-atom force field

Document Type

Article

Publication Date

7-18-2007

Abstract

Experimentally well-characterized proteins that are small enough to be computationally tractable provide useful information for refining existing all-atom force fields. This is used by us for reparametrizing a recently developed all-atom force field. Relying on high statistics parallel tempering simulations of a designed 20 residue β -sheet peptide, we propose incremental changes that improve the force field's range of applicability. © 2007 The American Physical Society.

Publication Title

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Share

COinS