It is known that folding a protein chain into the cubic lattice is an NP-complete problem. We consider a seemingly easier problem, given a 3D fold of a protein chain (coordinates of its « atoms), we want to find the closest lattice approximation of this fold. This problem has been studied under names such as "lattice approximation of a protein chain", "the protein chain fitting problem" and "building protein lattice models". We show that this problem is NP-complete for the cubic lattice with side 3.8Å and the coordinate root mean-square deviation.
PCLF problem is proved to be NP-complete REF .
Fitting Protein Chains to Cubic Lattice is NP-Complete
APBC
Mathematics Computer Science Medicine