Macromodel
From NMR Wiki
(Difference between revisions)
(→Force field development papers) |
m |
||
| (One intermediate revision not shown.) | |||
| Line 1: | Line 1: | ||
| + | Macromodel is a molecular modeling software that has routines to calculate some NMR parameters, for example: vicinal couplings using [[Karplus equations]] | ||
| + | |||
[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] | ||
| Line 5: | Line 7: | ||
==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.}, | ||
| Line 16: | Line 18: | ||
url={http://dx.doi.org/10.1021/ja952571a} | url={http://dx.doi.org/10.1021/ja952571a} | ||
} | } | ||
| - | </ | + | </biblio> |
| + | [[Category:NMR software]] | ||
| + | [[Category:Software]] | ||
Current revision
Macromodel is a molecular modeling software that has routines to calculate some NMR parameters, for example: vicinal couplings using Karplus equations
