Work

PNNL-Predictive-Phenomics/ProCaliper

Year: 2025

Type: article

Abstract: ProCaliper is a Python library that curates, organizes, and computes protein structure features in a way that easily interfaces with user-provided experimental data. It extracts or computes protein binding site, active site, charge, pLDDT (order/disorder), acid dissociation, protonation, solvent accessible surface area, disulfide bond distance, and protein secondary structure data using precomputed protein structures and publicly available databases. It provides a unified API for integrating additional residue-level data and for visualizing residue features in 3D.

Source: OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

DOI: 10.11578/dc.20250514.1

Authors: Rozum, Jordan, (馮松), Song Feng, Im, Alexandria, Anderson, Lindsey N, Ufford, Hunter

Institution: Pacific Northwest National Laboratory

Language: English

Topic: Protein Structure and Dynamics

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: green

OpenAlex ID: W4414619382

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