The application of quantum chemical methods to large molecules such as proteins and DNAs remains a great challenge in computational chemistry. The calculations of electronic structures for biomolecules are usually difficult due to their huge size, and some models are needed to realize quantum mechanical calculations on such systems.
|Title of host publication||The Fragment Molecular Orbital Method|
|Subtitle of host publication||Practical Applications to Large Molecular Systems|
|Number of pages||26|
|Publication status||Published - 2009 Jan 1|