ArticleActa crystallographica. Section D, Structural biology2017
Solving the scalability issue in quantum-based refinement: Q|R#1.
Article in Acta crystallographica. Section D, Structural biology, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 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
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Who cites it
8 citing papers in PubMed.
- AQuaRef: machine learning accelerated quantum refinement of protein structures.Nature communications · 2025Article
- Article
- Accelerating reliable multiscale quantum refinement of protein-drug systems enabled by machine learning.Nature communications · 2024Article
- In situ ligand restraints from quantum-mechanical methods.Acta crystallographica. Section D, Structural biology · 2023Article
- Macromolecular refinement of X-ray and cryoelectron microscopy structures with Phenix/OPLS3e for improved structure and ligand quality.Structure (London, England : 1993) · 2021Article
- Quantum refinement with multiple conformations: application to the P-cluster in nitrogenase.Acta crystallographica. Section D, Structural biology · 2020Article
- Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix.Acta crystallographica. Section D, Structural biology · 2019Article
- Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data.Acta crystallographica. Section D, Structural biology · 2019Article
Corrections and comments
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Authors and funding
6 authors.
Funding
Abstract
Accurately refining biomacromolecules using a quantum-chemical method is challenging because the cost of a quantum-chemical calculation scales approximately as n
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Registered trials
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