| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384861 | Chemical Physics Letters | 2011 | 6 Pages |
Abstract
⺠Molecular mechanics and DFT calculations yield comparable results for glutathione and fragments. ⺠Constructing stable structures from fragments require prior knowledge of structure of interest. ⺠Utilization of the advantages of each method is necessary to effectively model large molecules.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Vanna Z.Y. Ding, Sean S.H. Dawson, Lewis W.Y. Lau, DongJin R. Lee, Natalie J. Galant, David H. Setiadi, Balázs Jójárt, Milán Szöri, Zoltán Mucsi, Béla Viskolcz, Svend J. Knak Jensen, Imre G. Csizmadia,