ECEPP/2 force field: Difference between revisions
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'''Empirical Conformational Energy Program for Peptides''' (ECEPP). (See also [[ECEPP/3]]). | '''Empirical Conformational Energy Program for Peptides''' (ECEPP). (See also [[ECEPP/3]]). | ||
==Functional form== | |||
==Parameters== | |||
==References== | ==References== | ||
#[http://dx.doi.org/10.1021/j100589a006 F. A. Momany, R. F. McGuire, A. W. Burgess, and Harold A. Scheraga "Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids", Journal of Physical Chemistry '''79''' pp. 2361 - 2381 (1975)] | #[http://dx.doi.org/10.1021/j100589a006 F. A. Momany, R. F. McGuire, A. W. Burgess, and Harold A. Scheraga "Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids", Journal of Physical Chemistry '''79''' pp. 2361 - 2381 (1975)] | ||
Latest revision as of 13:49, 5 March 2010
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Empirical Conformational Energy Program for Peptides (ECEPP). (See also ECEPP/3).
Functional form[edit]
Parameters[edit]
References[edit]
- F. A. Momany, R. F. McGuire, A. W. Burgess, and Harold A. Scheraga "Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids", Journal of Physical Chemistry 79 pp. 2361 - 2381 (1975)
- George Nemethy, Marcia S. Pottle, and Harold A. Scheraga "Energy parameters in polypeptides. 9. Updating of geometrical parameters, nonbonded interactions, and hydrogen bond interactions for the naturally occurring amino acids", Journal of Physical Chemistry 87 pp. 1883 - 1887 (1983)
- Manfred J. Sippl, George Nemethy, and Harold A. Scheraga "Intermolecular potentials from crystal data. 6. Determination of empirical potentials for O-H...O = C hydrogen bonds from packing configurations", Journal of Physical Chemistry 88 pp. 6231 - 6233 (1984)