ChemistryComputer ScienceMedicine

Definition and testing of the GROMOS force-field versions 54A7 and 54B7

Nathan Schmid, Andreas P. Eichenberger, A. Choutko, Sereina Riniker, Moritz Winger, A. Mark, W. F. Gunsteren

2011.4.30European Biophysics Journal

DOI: 10.1007/s00249-011-0700-9

tlooto Summary

The helical propensity modification is tested using the benchmark proteins hen egg-white lysozyme, fox1 RNA binding domain, chorismate mutase and the GCN4-p1 peptide and good agreement with a range of primary experimental data is obtained.

Abstract

Abstract is not available.

Citation format

SCHMID, Nathan, et al. Definition and testing of the GROMOS force-field versions 54a7 and 54b7. European Biophysics Journal, 2011, 40: 843–856.