ArticleWiley interdisciplinary reviews. Computational molecular science2012
Carbohydrate force fields.
Article in Wiley interdisciplinary reviews. Computational molecular science, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 38 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
38 citing papers in PubMed.
- Atomistic Insights into Conformations and Solvation Dynamics of Amylose, Dextran, and Pullulan Using Three Force Fields.The journal of physical chemistry. B · 2026Article
- Capturing Carbohydrate Conformations and Hydration Interactions with a Polarizable Bond Dipole Potential.Molecules (Basel, Switzerland) · 2026Article
- Plant fucosyltransferase FUT11 distorts the sugar acceptor to catalyze via a transient oxocarbenium intermediate mechanism.Nature communications · 2026Article
- Is AMOEBA a Good Force Field for Molecular Dynamics Simulations of Carbohydrates?Journal of chemical information and modeling · 2025Review
- Efficient Small-Molecule Reversal Agents for Anticoagulant Fondaparinux.ACS pharmacology & translational science · 2025Article
- Refinement of the Drude Polarizable Force Field for Hexose Monosaccharides: Capturing Ring Conformational Dynamics with Enhanced Accuracy.Journal of chemical theory and computation · 2024Article
- The Conformation of Glycosidic Linkages According to Various Force Fields: Monte Carlo Modeling of Polysaccharides Based on Extrapolation of Short-Chain Properties.Journal of chemical theory and computation · 2024Article
- The Legionella collagen-like protein employs a distinct binding mechanism for the recognition of host glycosaminoglycans.Nature communications · 2024Article
- A True Reverse Anomeric Effect Does Exist After All: A Hydrogen Bonding Stereocontrolling Effect in 2-Iminoaldoses.The Journal of organic chemistry · 2024Article
- Outstanding Properties of the Hydration Shell around β-d-Glucose: A Computational Study.ACS omega · 2024Article
- Benchmarking Water Models in Molecular Dynamics of Protein-Glycosaminoglycan Complexes.Journal of chemical information and modeling · 2024Article
- Insights into receptor structure and dynamics at the surface of living cells.Nature communications · 2023Article
- Modeling pyranose ring pucker in carbohydrates using machine learning and semi-empirical quantum chemical methods.Journal of computational chemistry · 2022Article
- Extending the Martini 3 Coarse-Grained Force Field to Carbohydrates.Journal of chemical theory and computation · 2022Article
- CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field.Journal of computational chemistry · 2022Article
- NMR and MD Analysis of the Bonding Interaction of Vancomycin with Muramyl Pentapeptide.International journal of molecular sciences · 2022Article
- Stochastic Modelling ofMolecules (Basel, Switzerland) · 2021Article
- Three-Dimensional Structures of Carbohydrates and Where to Find Them.International journal of molecular sciences · 2020Review
- ADD Force Field for Sugars and Polyols: Predicting the Additivity of Protein-Osmolyte Interaction.The journal of physical chemistry. B · 2020Article
- Rigorous analysis of free solution glycosaminoglycan dynamics using simple, new tools.Glycobiology · 2020Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
Abstract
Carbohydrates present a special set of challenges to the generation of force fields. First, the tertiary structures of monosaccharides are complex merely by virtue of their exceptionally high number of chiral centers. In addition, their electronic characteristics lead to molecular geometries and electrostatic landscapes that can be challenging to predict and model. The monosaccharide units can also interconnect in many ways, resulting in a large number of possible oligosaccharides and polysaccharides, both linear and branched. These larger structures contain a number of rotatable bonds, meaning they potentially sample an enormous conformational space. This article briefly reviews the history of carbohydrate force fields, examining and comparing their challenges, forms, philosophies, and development strategies. Then it presents a survey of recent uses of these force fields, noting trends, strengths, deficiencies, and possible directions for future expansion.
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.