Paper Citing NAMD - Abstract
Patmanidis, Ilias; Glykos, Nicholas M.
As good as it gets? Folding molecular dynamics simulations of the LytA choline-binding peptide result to an exceptionally accurate model of the peptide structure
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 41:68-71, APR 2013
Folding simulations of a choline-binding peptide derived from the Streptococcus pneumoniae LytA protein converged to a model of the peptide's folded state structure which is in outstanding agreement with the experimentally-determined structures, reaching values for the root mean squared deviation as low as 0.24 angstrom for the peptide's backbone atoms and 0.65 angstrom for all non-hydrogen atoms. (C) 2013 Elsevier Inc. All rights reserved.
