화학공학소재연구정보센터
Chemical Physics Letters, Vol.451, No.1-3, 132-135, 2008
On the optimal contact potential of proteins
We analytically derive the lower bound of the total conformational energy of a protein structure by assuming that the total conformational energy is well approximated by the sum of sequence-dependent pairwise contact energies. The condition for the native structure achieving the lower bound leads to the contact energy matrix that is a scalar multiple of the native contact matrix, i.e., the so-called Go potential. We also derive spectral relations between contact matrix and energy matrix, and approximations related to one-dimensional protein structures. Implications for protein structure prediction are discussed. (c) 2007 Elsevier B.V. All rights reserved.