Macromodel
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| + | Macromodel is a molecular modeling software that has routines to calculate some NMR parameters, for example: vicinal couplings using [[Karplus equations]] | ||
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[http://www.scripps.edu/rc/softwaredocs/macromodel/mm7/html/primer/prmrfram.htm on-line primer] | [http://www.scripps.edu/rc/softwaredocs/macromodel/mm7/html/primer/prmrfram.htm on-line primer] | ||
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==Force field development papers== | ==Force field development papers== | ||
| - | < | + | <biblio> |
| - | @article{mcdonald1996afe, | + | #mcdon96 bibtex=@article{mcdonald1996afe, |
title={Application of Free Energy Perturbation Calculations to the Enantioselective Binding of Peptides to C3-Symmetric Synthetic Receptors}, | title={Application of Free Energy Perturbation Calculations to the Enantioselective Binding of Peptides to C3-Symmetric Synthetic Receptors}, | ||
author={McDonald, DQ and Still, W.C.}, | author={McDonald, DQ and Still, W.C.}, | ||
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url={http://dx.doi.org/10.1021/ja952571a} | url={http://dx.doi.org/10.1021/ja952571a} | ||
} | } | ||
| - | </ | + | </biblio> |
| + | [[Category:NMR software]] | ||
Revision as of 00:23, 28 January 2009
Macromodel is a molecular modeling software that has routines to calculate some NMR parameters, for example: vicinal couplings using Karplus equations
