ECEPP/2 force field: Difference between revisions
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'''Empirical Conformational Energy Program for Peptides''' (ECEPP). | '''Empirical Conformational Energy Program for Peptides''' (ECEPP). | ||
==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/j100234a011 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)] | #[http://dx.doi.org/10.1021/j100234a011 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)] | ||
#[http://dx.doi.org/10.1021/j150669a035 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)] | #[http://dx.doi.org/10.1021/j150669a035 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)] | ||
[[category: force fields]] | [[category: force fields]] | ||
Revision as of 12:51, 3 April 2007
Empirical Conformational Energy Program for Peptides (ECEPP).
References
- 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)