| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5390050 | Chemical Physics Letters | 2006 | 6 Pages |
Abstract
The three-body FMO method has been reformulated to allow practical calculations of proteins, exemplified on fully quantum-mechanical RHF/6-31Gâ computations of lysozyme (1IO5) with 1961 atoms, using a 36 node Pentium4 cluster.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Dmitri G. Fedorov, Kazuo Kitaura,