Evidence map›Paper›PMID 37067488›Full record

ArticleBioinformatics (Oxford, England)2023

Surface ID: a geometry-aware system for protein molecular surface comparison.

Saleh Riahi, Jae Hyeon Lee, Taylor Sorenson, Shuai Wei, Sven Jager, Reza Olfati-Saber, Anna Park, Maria Wendt, Hervé Minoux, Yu Qiu

Erratum issuedAbstract read
In one paragraph

Article in Bioinformatics (Oxford, England), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 9 papers.

0numbers the graph read from it
0cells of the map it votes in
9citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

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.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

9 citing papers in PubMed.

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4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

10 authors.

Saleh RiahiLarge Molecule Research, Sanofi, Cambridge, MA 02141, United States.
Jae Hyeon LeeData & Data Science, Sanofi, Cambridge, MA 02141, United States.
Taylor SorensonData & Data Science, Sanofi, Cambridge, MA 02141, United States.
Shuai WeiLarge Molecule Research, Sanofi, Cambridge, MA 02141, United States.
Sven JagerR&D Digital Data & Computational Sciences, Sanofi, Industriepark Hoechst, Frankfurt am Main 65929, Germany.
Reza Olfati-SaberData & Data Science, Sanofi, Cambridge, MA 02141, United States.
Anna ParkLarge Molecule Research, Sanofi, Cambridge, MA 02141, United States.
Maria WendtLarge Molecule Research, Sanofi, Cambridge, MA 02141, United States.
Hervé MinouxData & Data Science, Sanofi, Chilly-Mazarin 91380, France.
Yu QiuLarge Molecule Research, Sanofi, Cambridge, MA 02141, United States.ORCID 0000-0002-2078-0513

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

motivationA protein can be represented in several forms, including its 1D sequence, 3D atom coordinates, and molecular surface. A protein surface contains rich structural and chemical features directly related to the protein's function such as its ability to interact with other molecules. While many methods have been developed for comparing the similarity of proteins using the sequence and structural representations, computational methods based on molecular surface representation are limited.

resultsHere, we describe "Surface ID," a geometric deep learning system for high-throughput surface comparison based on geometric and chemical features. Surface ID offers a novel grouping and alignment algorithm useful for clustering proteins by function, visualization, and in silico screening of potential binding partners to a target molecule. Our method demonstrates top performance in surface similarity assessment, indicating great potential for protein functional annotation, a major need in protein engineering and therapeutic design. AVAILABILITY AND IMPLEMENTATION: Source code for the Surface ID model, trained weights, and inference script are available at https://github.com/Sanofi-Public/LMR-SurfaceID.

Indexed as

AlgorithmsSoftwareMembrane ProteinsMembrane Proteins

Identifiers

PMID37067488
PMCPMC10133531

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.