ArticleMolecules (Basel, Switzerland)2020
Ensemble Docking Coupled to Linear Interaction Energy Calculations for Identification of Coronavirus Main Protease (3CL
Article in Molecules (Basel, Switzerland), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 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
21 citing papers in PubMed.
- Integrative chemical profiling combined with molecular docking, molecular dynamics simulations, ADMET, and DFT analysis reveal the anti-infective and antioxidant potential of Pulicaria incisa (Lam.) DC. essential oil supported by experimental validation.Journal of computer-aided molecular design · 2026Article
- Identification of SARS-CoV-2 Main Protease Inhibitors Using Chemical Similarity Analysis Combined with Machine Learning.Pharmaceuticals (Basel, Switzerland) · 2024Article
- Identification of Triazolopyrimidinyl Scaffold SARS-CoV-2 Papain-Like Protease (PLPharmaceutics · 2024Article
- Prospecting native and analogous peptides with anti-SARS-CoV-2 potential derived from the trypsin inhibitor purified from tamarind seeds.Arabian journal of chemistry · 2023Article
- The inhibitory activity of methoxyl flavonoids derived from Inula britannica flowers on SARS-CoV-2 3CLpro.International journal of biological macromolecules · 2022Article
- Identification of Potential Insect Growth Inhibitor againstInternational journal of molecular sciences · 2022Article
- Comparative Analyses of Medicinal Chemistry and Cheminformatics Filters with Accessible Implementation in Konstanz Information Miner (KNIME).International journal of molecular sciences · 2022Article
- Investigating novel thiazolyl-indazole derivatives as scaffolds for SARS-CoV-2 MEuropean journal of medicinal chemistry reports · 2022Article
- Haste makes waste: A critical review of docking-based virtual screening in drug repurposing for SARS-CoV-2 main protease (M-pro) inhibition.Medicinal research reviews · 2022Review
- Essential Dynamics Ensemble Docking for Structure-Based GPCR Drug Discovery.Frontiers in molecular biosciences · 2022Article
- Commercial SARS-CoV-2 Targeted, Protease Inhibitor Focused and Protein-Protein Interaction Inhibitor Focused Molecular Libraries for Virtual Screening and Drug Design.International journal of molecular sciences · 2021Review
- Potential Novel Thioether-Amide or Guanidine-Linker Class of SARS-CoV-2 Virus RNA-Dependent RNA Polymerase Inhibitors Identified by High-Throughput Virtual Screening Coupled to Free-Energy Calculations.International journal of molecular sciences · 2021Article
- Flavonoids in Ampelopsis grossedentata as covalent inhibitors of SARS-CoV-2 3CLInternational journal of biological macromolecules · 2021Article
- Multifunctional inhibitors of SARS-CoV-2 by MM/PBSA, essential dynamics, and molecular dynamic investigations.Journal of molecular graphics & modelling · 2021Article
- Non-competitive interactions between hydroxychloroquine and azithromycin: Systematic density functional, molecular dynamics, and docking calculations.Chemical physics letters · 2021Article
- Identification of Vitamin K3 and its analogues as covalent inhibitors of SARS-CoV-2 3CLInternational journal of biological macromolecules · 2021Article
- Prioritisation of Compounds for 3CLMolecules (Basel, Switzerland) · 2021Article
- A Computer-Aided Approach for the Discovery of D-Peptides as Inhibitors of SARS-CoV-2 Main Protease.Frontiers in molecular biosciences · 2021Article
- Repurposing of Drugs for SARS-CoV-2 Using Inverse Docking Fingerprints.Frontiers in chemistry · 2021Article
- Recent Developments in Free Energy Calculations for Drug Discovery.Frontiers in molecular biosciences · 2021Review
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
SARS-CoV-2, or severe acute respiratory syndrome coronavirus 2, represents a new strain of
Indexed as
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.