Enhancing structural insights for advanced drug discovery by mitigating protein crystal damage

To advance drug discovery, the structural biology community must adopt unified standards for data validation and experimental documentation. High-quality, reproducible structures are essential for minimizing artifacts and supporting AI-driven modeling and screening. A coordinated effort to integrate damage-aware practices and metadata standards will enhance the fidelity of structural data and its utility in therapeutic innovation.

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Publication Details

Journal
Expert Opinion on Drug Discovery
Published
2025-12-26
DOI
https://doi.org/10.1080/17460441.2025.2605354
Primary Topic
Enzyme Structure and Function
Type
article
Field-Weighted Citation Impact
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article

Enhancing structural insights for advanced drug discovery by mitigating protein crystal damage

Michał Gucwa, Krzysztof Murzyn, Jerzy Bazak, Michał Markiewicz et al.
Expert Opinion on Drug Discovery
Enzyme Structure and Function
article

Enhancing structural insights for advanced drug discovery by mitigating protein crystal damage

Michał Gucwa, Krzysztof Murzyn, Jerzy Bazak, Michał Markiewicz, Wojciech Dec, Wladek Minor
article en

Abstract

To advance drug discovery, the structural biology community must adopt unified standards for data validation and experimental documentation. High-quality, reproducible structures are essential for minimizing artifacts and supporting AI-driven modeling and screening. A coordinated effort to integrate damage-aware practices and metadata standards will enhance the fidelity of structural data and its utility in therapeutic innovation.

Expert Opinion on Drug DiscoveryVol. 21(1)
Jagiellonian University (PL), University of Virginia (US)
Industry, innovation and infrastructure
Openalex Percentile: Top 48%
Enzyme Structure and Function
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