Recent Trends in Carbohydrate Modeling

Jane   Dannow   Dyekjaer; Kjeld      Rasmussen

doi:10.2174/1389557033487728

Abstract

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.

Keywords: carbohydrate modeling, molecular dynamics simulations, thermodynamic properties, quantum chemical methods, web-access

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Mini-Reviews in Medicinal Chemistry

Title: Recent Trends in Carbohydrate Modeling

Volume: 3 Issue: 7

Author(s): Jane Dannow Dyekjaer and Kjeld Rasmussen

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Keywords: carbohydrate modeling, molecular dynamics simulations, thermodynamic properties, quantum chemical methods, web-access

Abstract: 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.

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Dyekjaer Dannow Jane and Rasmussen Kjeld, Recent Trends in Carbohydrate Modeling, Mini-Reviews in Medicinal Chemistry 2003; 3 (7) . https://dx.doi.org/10.2174/1389557033487728