ReviewDrug discovery today2010
Molecular simulations of carbohydrates and protein-carbohydrate interactions: motivation, issues and prospects.
Review in Drug discovery today, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 55 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
55 citing papers in PubMed.
- Advances in Bioactive Polysaccharide-Small-Molecule Drug Supramolecular Nanocomplexes for Drug Delivery and Therapeutic Applications.Journal of functional biomaterials · 2026Review
- Insights into the Electronic and Structural Properties of Cellulose and Amylose: A Comparative Force Field Study.The journal of physical chemistry. B · 2026Article
- GLYCAM Bacterial Carbohydrate Builder: a web-tool for modelling 3D structures of bacterial glycans.bioRxiv : the preprint server for biology · 2026Article
- Unlocking the chemistry facilitated by enzymes that process nucleic acids using quantum mechanical and combined quantum mechanics-molecular mechanics techniques.Pure and applied chemistry. Chimie pure et appliquee · 2025Review
- Conformational Profile of Galactose-α-1,3-Galactose (α-Gal) and Structural Basis of Its Immunological Response.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- Simulation Study of the Water Ordering Effect of the β-(1,3)-Glucan Callose Biopolymer.Biomacromolecules · 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
- Application of bioanalytical and computational methods in decoding the roles of glycans in host-pathogen interactions.Current opinion in chemical biology · 2023Review
- Gaussian Process Regression Models for Predicting Atomic Energies and Multipole Moments.Journal of chemical theory and computation · 2023Article
- Structural Analysis of Oligosaccharides and Glycoconjugates Using NMR.Advances in neurobiology · 2023Article
- Article
- Molecular dynamics simulations to understand glycosaminoglycan interactions in the free- and protein-bound states.Current opinion in structural biology · 2022Review
- CSM-carbohydrate: protein-carbohydrate binding affinity prediction and docking scoring function.Briefings in bioinformatics · 2022Article
- Article
- Types of potentials in a mitotic spindle.Biochemistry and biophysics reports · 2021Article
- Marine Sulfated Polysaccharides as Promising Antiviral Agents: A Comprehensive Report and Modeling Study Focusing on SARS CoV-2.Marine drugs · 2021Article
- Physical constraints and functional plasticity of cellulases.Nature communications · 2021Article
- Development and Evaluation of GlycanDock: A Protein-Glycoligand Docking Refinement Algorithm in Rosetta.The journal of physical chemistry. B · 2021Article
- Article
- Carbohydrate-Protein Interactions: Advances and Challenges.Communications in information and systems · 2021Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
2 authors.
Funding
Abstract
The characterization of the 3D structure of oligosaccharides, their conjugates and analogs is particularly challenging for traditional experimental methods. Molecular simulation methods provide a basis for interpreting sparse experimental data and for independently predicting conformational and dynamic properties of glycans. Here, we summarize and analyze the issues associated with modeling carbohydrates, with a detailed discussion of four of the most recently developed carbohydrate force fields, reviewed in terms of applicability to natural glycans, carbohydrate-protein complexes and the emerging area of glycomimetic drugs. In addition, we discuss prospectives and new applications of carbohydrate modeling in drug discovery.
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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.