Improving an all-atom force field
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.
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
Improving an all-atom force field.
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics,
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