ReviewCurrent opinion in pharmacology2010
Molecular dynamics simulations of protein dynamics and their relevance to drug discovery.
Review in Current opinion in pharmacology, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 82 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
82 citing papers in PubMed.
- An integrative computational and experimental evaluation of natural compounds with potential to target LuxS in Klebsiella pneumoniae.Archives of microbiology · 2026Article
- Triamcinolone Acetonide Produced by Bacillus velezensis YEBBR6 Exerts Antagonistic Activity Against Fusarium oxysporum f. sp. Cubense: A Computational Analysis.Molecular biotechnology · 2026Article
- A historical journey of metabolite-protein interaction discovery: from data harmonization to AI-driven prediction.Briefings in bioinformatics · 2026Review
- Divide and Cluster: The DIVINE Framework for Deterministic Top-Down Analysis of Molecular Dynamics Trajectories.Journal of chemical information and modeling · 2026Article
- In Silico Targeting of Trypanothione Reductase and Glycerol-3-Phosphate Dehydrogenase inMicroorganisms · 2026Article
- Article
- Small buds to blooming flowers: organic-inorganic hybrid nanoflowers as immobilization platform and robust system for bio-catalytic production of d-allose.RSC advances · 2025Article
- Computational Analysis ofACS chemical neuroscience · 2025Article
- Structure-based identification of Jervine as a potent dual-targeting inhibitor of cell cycle kinases.Frontiers in pharmacology · 2025Article
- Predicting multiple conformations of ligand binding sites in proteins suggests that AlphaFold2 may remember too much.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Phytoconstituents of Withania somnifera (L.) Dunal (Ashwagandha) unveiled potential cerebroside sulfotransferase inhibitors: insight through virtual screening, molecular dynamics, toxicity, and reverse pharmacophore analysis.Journal of biological engineering · 2024Article
- Leveraging Therapeutic Proteins and Peptides fromInternational journal of molecular sciences · 2024Article
- Article
- Structural Characterization of Heat Shock Protein 90β and Molecular Interactions with Geldanamycin and Ritonavir: A Computational Study.International journal of molecular sciences · 2024Article
- Uncovering potential CDK9 inhibitors from natural compound databases through docking-based virtual screening and MD simulations.Journal of molecular modeling · 2024Article
- Determination of 3- and 4-chloromethcathinone interactions with plasma proteins: study involving analytical and theoretical methods.Forensic toxicology · 2024Article
- Study of Glabranin as an Inhibitor Against Prostate Cancer: Molecular Docking, Molecular Dynamics Simulation, MM-PBSA Calculation and QSAR Prediction.Indian journal of clinical biochemistry : IJCB · 2024Article
- Implication of Caffeic Acid for the Prevention and Treatment of Alzheimer's Disease: Understanding the Binding with Human Transferrin Using In Silico and In Vitro Approaches.Molecular neurobiology · 2024Article
- Modulating the antibacterial effect of the existing antibiotics along with repurposing drug metformin.Archives of microbiology · 2024Article
- Mechanistic Insights into the Adsorption of Monoclonal Antibodies at the Water/Vapor Interface.Molecular pharmaceutics · 2024Article
22 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
1 author.
Funding
Abstract
Molecular dynamics simulations have become increasingly useful in studying biological systems of biomedical interest, and not just in the study of model or toy systems. In this article, the methods and principles of all-atom molecular dynamics will be elucidated with several examples provided of their utility to investigators interested on 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.