The Conformational Free Energy of Carbohydrates
Kuttel, Michelle (2011) The Conformational Free Energy of Carbohydrates. Mini-Reviews in Organic Chemistry 8(3):256-262.
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Although free energy calculations have been extensively employed to explore the conformational space of proteins, to date carbohydrates have received considerably less attention. This review provides a survey of recent computational free energy studies of the preferred conformations and characteristic dynamics of carbohydrate molecules in solution. The article comprises a motivation for employing expensive free energy calculations for carbohydrates, an outline of the principal computational methods and techniques employed for free energy determinations, together with a summary of the development of the field in recent years and the principal findings to date. Finally, possible future directions in free energy investigations of this type are discussed.
|EPrint Type:||Journal (Paginated)|
|Keywords:||free energy, carbohydrates, polysaccharides, review|
|Subjects:||J Computer Applications: J.2 PHYSICAL SCIENCES AND ENGINEERING|
I Computing Methodologies: I.6 SIMULATION AND MODELING
|Deposited By:||Kuttel, Michelle|
|Deposited On:||08 September 2011|