ArticleJournal of chemical information and modeling2019
MedusaDock 2.0: Efficient and Accurate Protein-Ligand Docking With Constraints.
Article in Journal of chemical information and modeling, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 44 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
44 citing papers in PubMed.
- Beyond the flat screen: evaluating virtual reality as a complementary tool for molecular docking in drug discovery.Journal of computer-aided molecular design · 2026Review
- Reconstruction of septin higher-order nano-size structures in ovarian cancer cells uncover susceptibility to the septin-targeting small molecule UR214-9.bioRxiv : the preprint server for biology · 2026Article
- A diffusion-based framework for designing molecules in flexible protein pockets.Science advances · 2026Article
- Unified protein-small molecule graph neural networks for binding site prediction.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- ArtiDock: Accurate Machine Learning Approach to Protein-Ligand Docking Optimized for High-Throughput Virtual Screening.Journal of chemical information and modeling · 2026Article
- Targeting IL-1/IRAK1/4 signaling in acute myeloid leukemia stem cells following treatment and relapse.Leukemia · 2026Article
- Multimodal Bond Reconstruction toward Generative Molecular Design.Journal of chemical information and modeling · 2026Article
- Expanding Chemical Space of Nucleic Acid Nanoparticles for Tunable Antiviral-Like Immunomodulatory Responses and Potent Adjuvant Activity.Advanced functional materials · 2026Article
- Colorectal Cancer: Differential Gene Expression and In Vitro Response to 5-Fluorouracil, Novel Fluoropyrimidine F10, and Potential Synergy with Lupeol.International journal of molecular sciences · 2025Article
- From AI-AssistedPharmaceuticals (Basel, Switzerland) · 2025Review
- PSP-0119: Targeted IRAK4 Degradation as a Novel Therapeutic Strategy for FLT3-Mutant AML.bioRxiv : the preprint server for biology · 2025Article
- Leveraging Transfer Learning for Predicting Protein-Small-Molecule Interaction Predictions.Journal of chemical information and modeling · 2025Article
- DockEM: an enhanced method for atomic-scale protein-ligand docking refinement leveraging low-to-medium resolution cryo-EM density maps.Briefings in bioinformatics · 2025Article
- STAG-LLM: Predicting TCR-pHLA binding with protein language models and computationally generated 3D structures.Computational and structural biotechnology journal · 2025Article
- Addressing docking pose selection with structure-based deep learning: Recent advances, challenges and opportunities.Computational and structural biotechnology journal · 2024Review
- OpenDock: a pytorch-based open-source framework for protein-ligand docking and modelling.Bioinformatics (Oxford, England) · 2024Article
- Computational Strategies for Assessing Adverse Outcome Pathways: Hepatic Steatosis as a Case Study.International journal of molecular sciences · 2024Review
- DockOpt: A Tool for Automatic Optimization of Docking Models.Journal of chemical information and modeling · 2024Article
- Recent Deep Learning Applications to Structure-Based Drug Design.Methods in molecular biology (Clifton, N.J.) · 2024Review
- Deciphering the Mechanistic Basis for Perfluoroalkyl-Protein Interactions.Chembiochem : a European journal of chemical biology · 2023Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
Molecular docking is the key ingredient of virtual drug screening, a promising and cost-effective approach for finding new drugs. A critical limitation of this approach is the inadequate sampling efficiency of both ligand and/or receptor conformations for finding the lowest energy bound state. To circumvent this limitation, we develop a protein-ligand docking methodology capable of incorporating structural constraints, experimentally derived or theoretically predicted, to improve accuracy and efficiency. We develop a web server with a user-friendly online graphical interface as a platform for accurate and efficient protein-ligand molecule docking.
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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.