ArticleJournal of computational chemistry2020
Comprehensive 3D-RISM analysis of the hydration of small molecule binding sites in ligand-free protein structures.
Article in Journal of computational chemistry, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
What it found
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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.
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Who cites it
5 citing papers in PubMed.
- Deep GIST: Deep Learning Models for Predicting the Distribution of Hydration Thermodynamics around Proteins.Journal of chemical information and modeling · 2026Article
- Total free energy analysis of fully hydrated proteins.Proteins · 2023Article
- 3D-RISM-AI: A Machine Learning Approach to Predict Protein-Ligand Binding Affinity Using 3D-RISM.The journal of physical chemistry. B · 2022Article
- Accurate Prediction of Hydration Sites of Proteins Using Energy Model With Atom Embedding.Frontiers in molecular biosciences · 2021Article
- Comprehensive 3D-RISM analysis of the hydration of small molecule binding sites in ligand-free protein structures.Journal of computational chemistry · 2020Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Hydration is a critical factor in the ligand binding process. Herein, to examine the hydration states of ligand binding sites, the three-dimensional distribution function for the water oxygen site, g
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Registered trials
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