PREFMD

Protein structure REFinement via Molecular Dynamics

Improvement of the global structure of template-based models via long MD and structural averaging (as seen in CASP).

V. Mirjalili, M. Feig: J. Chem. Theory Comput.  (2013) 9, 1294-1303
V. Mirjalili, K. Noyes, M. Feig: Prot. Struct. Funct. Bioinf.  (2014) 82 (Suppl. S2), 196-207
M. Feig, V. Mirjalili: Prot. Struct. Funct. Bioinf.  (2016) 84 (Suppl. 1), 282-292

Provide a PDB file containing a single chain (300 residues max.) and an email address where the result will be sent once the refinement is completed (expect 24-72 hours).