Empirical Conformational Energy program

The Empirical Conformational Energy Program for Peptides, ECEPP [63, 64], is one of the first empirical interatomic potentials whose derivation is based both on gas-phase and X-ray crystal data [65], It was developed in 1975 and updated in 1983 and 1992. The actual distribution (dated May, 2000) can be downloaded without charge for academic use. 

D.R. Ripoll, H.A. Scheraga, ECEPP Empirical Conformational Energy Program for Peptides, in The Encyclopedia of Computational Chemistry, Vol. 2,... 

Empirical conformational energy program for peptides (ECEPP) is the name of both a computer program and the force field implemented in that program. This is one of the earlier peptide force fields that has seen less use with the introduction of improved methods. It uses three valence terms that are fixed, a van der Waals term, and an electrostatic term. 

ECEPP Empirical conformational energy program for peptides... 

Some of the parameters that are used in the computer program ecepp (empirical conformational energy program for peptides) of Momany et al. (J. Phys. Chem. 1975, 79, 2361) are updated. The changes are based on experimental information that has become available since 1975,... 

For a significant portion of this work, the ECEPP/3 (Empirical Conformational Energy Program for Peptides) [38] potential model is utilized. In this force field, it is assumed that the covalent bond lengths and bond angles are fixed at their equilibrium values. Then, the conformation is only a function of... 

ECEPP/3 Empirical Conformational Energy Program for Peptides... 

ECEPP EMPIRICAL CONFORMATIONAL ENERGY PROGRAM FOR PEPTIDES... 

The computer program ECEPP (Empirical Conformational Energy Program... 

Several empirical potential functions are used to calculate the conformational energy of a polypeptide. The one in most frequent use in our laboratory is ECEPP (Empirical Conformational Energy Program for Peptides)(Momany et al., 1975 Pottle et al., 1980). It was parameterized (Momany et al., 1974a) and tested (Momany et al., 1974b) on the crystals listed in Table 1 of a paper by Scheraga (1974) and on gas-phase data (Momany et al.. 

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