ECEPP/2 force field: Difference between revisions
Jump to navigation
Jump to search
Carl McBride (talk | contribs) No edit summary |
mNo edit summary |
||
| (5 intermediate revisions by 2 users not shown) | |||
| Line 1: | Line 1: | ||
'''Empirical Conformational Energy Program for Peptides''' (ECEPP). | {{Stub-general}} | ||
'''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/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]] | ||
Latest revision as of 13:49, 5 March 2010
|
This article is a 'stub' page, it has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add sufficient material to this article then please remove the {{Stub-general}} template from this page. |
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)