Homology Models of Salmonella Typhimurium Outer Membrane Proteins OmpV and LptE with Validation and Druggability Assessment

The proteins are OmpV (UniProt A0A634SAW8) and LptE (UniProt A0A5W2VQP4) from Salmonella. Models were generated with AlphaFold2/Swiss-Model (July 7, 2025), refined with ModRefiner, and validated with PROCHECK/ERRAT (July 13, 2025). Key quality scores: >97% residues in favored Ramachandran regions, GMQE scores of 0.79 (OmpV) and 0.88 (LptE). Druggability assessed with FPocketWeb, yielding scores of 0.998 (OmpV) and 0.758 (LptE). Keywords: Salmonella, OmpV, LptE, Homology Modeling, AlphaFold2, PROCHECK, ERRAT, FPocket, Druggability, Outer Membrane Protein, Computational Biology.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-09-24
DOI
https://doi.org/10.5281/zenodo.17188938
Primary Topic
Geodetic Measurements and Engineering Structures
Type
article
Field-Weighted Citation Impact
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article

Homology Models of Salmonella Typhimurium Outer Membrane Proteins OmpV and LptE with Validation and Druggability Assessment

Zenodo (CERN European Organization for Nuclear Research)
Geodetic Measurements and Engineering Structures
article

Homology Models of Salmonella Typhimurium Outer Membrane Proteins OmpV and LptE with Validation and Druggability Assessment

article en

Abstract

The proteins are OmpV (UniProt A0A634SAW8) and LptE (UniProt A0A5W2VQP4) from Salmonella. Models were generated with AlphaFold2/Swiss-Model (July 7, 2025), refined with ModRefiner, and validated with PROCHECK/ERRAT (July 13, 2025). Key quality scores: >97% residues in favored Ramachandran regions, GMQE scores of 0.79 (OmpV) and 0.88 (LptE). Druggability assessed with FPocketWeb, yielding scores of 0.998 (OmpV) and 0.758 (LptE). Keywords: Salmonella, OmpV, LptE, Homology Modeling, AlphaFold2, PROCHECK, ERRAT, FPocket, Druggability, Outer Membrane Protein, Computational Biology.

Zenodo (CERN European Organization for Nuclear Research)
University of Malaya (MY), University of Africa (ZM)
Openalex Percentile: Top 51%
Geodetic Measurements and Engineering Structures
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