Does replica exchange with solute tempering efficiently sample Aβ peptide conformational ensembles?
Smith, A. K., Lockhart, C., & Klimov, D. K.
Publication Details
- Journal: J. Chem. Theory Comput.
- Date: August 24, 2016
- Volume: 12
- Issue: 10
- Pages: 5201-5214
- DOI: 10.1021/acs.jctc.6b00660
Tags
Alzheimer's DiseaseAβ PeptideREMDREST