Integrated Platform for Assessing the Quality of Macromolecular Models

Macromolecular models are crucial for biomedical research, particularly in drug discovery. However, variations in model quality can impact the reliability of downstream analyses [1, 2]. To advance the evaluation of macromolecular structures, we developed an integrated system for the rapid exploration and comparison of protein structure models derived from cryoEM and crystallography experiments. Our platform seamlessly incorporates multiple resources, including RCSB PDB [3], PDBe [4], PDBj [5], UniProt [6], PDB-REDO [7, 8], EMDB [9], and AlphaFold DB [10]. Currently, the system operates within the PyMOL 3.1 ecosystem, providing an efficient and streamlined workflow for structural analysis.

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Publication Details

Journal
Structural Dynamics
Published
2025-09-01
DOI
https://doi.org/10.1063/4.0001054
Primary Topic
Enzyme Structure and Function
Type
article
Field-Weighted Citation Impact
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article

Integrated Platform for Assessing the Quality of Macromolecular Models

Structural Dynamics
Enzyme Structure and Function
article

Integrated Platform for Assessing the Quality of Macromolecular Models

article en

Abstract

Macromolecular models are crucial for biomedical research, particularly in drug discovery. However, variations in model quality can impact the reliability of downstream analyses [1, 2]. To advance the evaluation of macromolecular structures, we developed an integrated system for the rapid exploration and comparison of protein structure models derived from cryoEM and crystallography experiments. Our platform seamlessly incorporates multiple resources, including RCSB PDB [3], PDBe [4], PDBj [5], UniProt [6], PDB-REDO [7, 8], EMDB [9], and AlphaFold DB [10]. Currently, the system operates within the PyMOL 3.1 ecosystem, providing an efficient and streamlined workflow for structural analysis.

Structural DynamicsVol. 12(5_Supplement)
Jagiellonian University (PL), SGH Warsaw School of Economics (PL), University of Virginia (US)
Openalex Percentile: Top 57%
Enzyme Structure and Function
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