Recent trends in carbohydrate modeling.
The exploding activities in modeling of carbohydrates during the past few years is reviewed with emphasis on advances in improving force fields, coupling of NMR measurements with molecular dynamics simulations, direct calculation of thermodynamic properties, application of quantum chemical methods on a large scale, and web-access to modeling.
Dyekjaer
Jane Dannow
JD
Department of Chemistry, Building 207, Technical University of Denmark, DK - 2800 Lyngby, Denmark. jdd@kemi.dtu.dk
Rasmussen
Kjeld
K
D002241:Carbohydrates / Q000737:chemistry*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D009682:Magnetic Resonance Spectroscopy; D013058:Mass Spectrometry; D008956:Models, Chemical; D011789:Quantum Theory; D013816:Thermodynamics
D002241:Carbohydrates