ArticleACS omega2022
Effective Protein-Ligand Docking Strategy via Fragment Reuse and a Proof-of-Concept Implementation.
Article in ACS omega, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- Probe-Atom Distributions Obtained from Mixed-Solvent Molecular Dynamics Improve the Scoring of Docking Calculations.Journal of chemical information and modeling · 2026Article
- COFFEE-PRESC: A Fast Prescreening Method Using Compound Retrieval by Pairwise Positional Relationship of Representative Fragments.Journal of chemical information and modeling · 2026Article
- Artificial Intelligence in Computer-Aided Drug Design (CADD) Tools for the Finding of Potent Biologically Active Small Molecules: Traditional to Modern Approach.Combinatorial chemistry & high throughput screening · 2026Review
- Docking and Molecular Dynamics Simulation-Based Analysis of Advanced Small-Molecule Kinase Inhibitors Identified pre-let-7 miRNA Binders.Chembiochem : a European journal of chemical biology · 2025Article
- Flavones in pomelo peel resist fibril formation of human islet amyloid polypeptide.Chinese herbal medicines · 2025Article
- QUBO Problem Formulation of Fragment-Based Protein-Ligand Flexible Docking.Entropy (Basel, Switzerland) · 2024Article
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Virtual screening is a commonly used process to search for feasible drug candidates from a huge number of compounds during the early stages of drug design. As the compound database continues to expand to billions of entries or more, there remains an urgent need to accelerate the process of docking calculations. Reuse of calculation results is a possible way to accelerate the process. In this study, we first propose yet another virtual screening-oriented docking strategy by combining three factors, namely, compound decomposition, simplified fragment grid storing
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Registered trials
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