Loading...
Robustness in the fitting of Molecular Mechanics parameters
Automated methods for force field parametrization have attracted renewed interest of the community, but the robustness issues associated with the often ill-conditioned nature of parameter optimization have been vastly underappreciated in the recent literature. For this reason, the present paper offe...
Saved in:
Published in: | J Comput Chem |
---|---|
Main Authors: | , , |
Format: | Artigo |
Language: | Inglês |
Published: |
2015
|
Subjects: | |
Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4412823/ https://ncbi.nlm.nih.gov/pubmed/25826578 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23897 |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|