Recent Trends in Carbohydrate Modeling

Jane   Dannow   Dyekjaer; Kjeld      Rasmussen

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

« Previous Next »

Rights & Permissions Print Cite

Mini-Reviews in Medicinal Chemistry

Title: Recent Trends in Carbohydrate Modeling

Volume: 3 Issue: 7

Author(s): Jane Dannow Dyekjaer and Kjeld Rasmussen

Affiliation:

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.

Export Options

Export File:

RIS (for EndNote, Reference Manager, ProCite)

BibTeX

Text

Content:

Citation Only

Citation and Abstract

About this article

Cite this article as:

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

DOI https://dx.doi.org/10.2174/1389557033487728	Print ISSN 1389-5575
Publisher Name Bentham Science Publisher	Online ISSN 1875-5607

About this journal

Call for Papers in Thematic Issues

Submission closes on : 31 August, 2024

Bioprospecting of Natural Products as Sources of New Multitarget Therapies

According to the Convention on Biological Diversity, bioprospecting is the exploration of biodiversity and indigenous knowledge to develop commercially valuable products for pharmaceutical and other applications. Bioprospecting involves searching for useful organic compounds in plants, fungi, marine organisms, and microorganisms. Natural products traditionally constituted the primary source of more than ...read more

Guest Editor(s): Marcello Iriti

Submission closes on : 04 June, 2024

Computational Frontiers in Medicinal Chemistry

The thematic issue "Computational Frontiers in Medicinal Chemistry" provides a robust platform for delving into state-of-the-art computational methodologies and technologies that significantly propel advancements in medicinal chemistry. This edition seeks to amalgamate top-tier reviews spotlighting the latest trends and breakthroughs in the fusion of computational approaches, including artificial intelligence (AI) ...read more

Guest Editor(s): Shaban Ahmad

Submission closes on : 29 September, 2024

Natural Products and Dietary Supplements in Alleviation of Metabolic, Cardiovascular, and Neurological Disorders

Metabolic disorders like diabetes, obesity, inflammation, oxidative stress, cancer etc, cardiovascular disorders like angina, myocardial infarction, congestive heart failure etc as well as neurological disorders like Alzheimer?s, Parkinson?s, Epilepsy, Depression, etc are the global burden. They covered the major segment of the diseases and disorders from which the human community ...read more

Guest Editor(s): Rajeev K. Singla

Submission closes on : 18 September, 2024

Natural Products in Drug Discovery

Natural products have always been one of the important ways of drug discovery due to their novel skeleton and diverse functional group characteristics. According to statistics, between 1981 and 2019, the FDA approved a total of 1,394 small molecule drugs for marketing, of which 930 marketed drugs originated from the ...read more

Guest Editor(s): Yu Zhang