ArticleJournal of chemical theory and computation2024
Refinement of the Drude Polarizable Force Field for Hexose Monosaccharides: Capturing Ring Conformational Dynamics with Enhanced Accuracy.
Article in Journal of chemical theory and computation, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
What it found
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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.
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Who cites it
5 citing papers in PubMed.
- Insights into the Electronic and Structural Properties of Cellulose and Amylose: A Comparative Force Field Study.The journal of physical chemistry. B · 2026Article
- Capturing Carbohydrate Conformations and Hydration Interactions with a Polarizable Bond Dipole Potential.Molecules (Basel, Switzerland) · 2026Article
- Synergy of Theory, NMR, and Rotational Spectroscopy to Unravel Structural Details of D-Altroside Puckering and Side Chain Orientation.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- Is AMOEBA a Good Force Field for Molecular Dynamics Simulations of Carbohydrates?Journal of chemical information and modeling · 2025Review
- Conformational Free Energy Landscape of β‑Glucose in the Gas Phase and Aqueous Solution: Energetic, Structural, and Electronic Changes.ACS omega · 2025Article
Corrections and comments
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Authors and funding
5 authors.
Funding
Abstract
We present a revised version of the Drude polarizable carbohydrate force field (FF), focusing on refining the ring and exocyclic torsional parameters for hexopyranose monosaccharides. This refinement addresses the previously observed discrepancies between calculated and experimental NMR
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Registered trials
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