Evidence map›Paper›PMID 42768230›Full record

ArticleTheory in biosciences = Theorie in den Biowissenschaften2026

Quaternionic response geometry for proteins: toward a noncommutative theory of ordered deformations.

Xiaoting Chen, Chon-Fai Kam, Yu Li, David Medina-Ortiz, Cedric Damour, Jean Pierre Chabriat, Alain Miranville, Miloud Bessafi, Frederic Cadet

Abstract read
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Article in Theory in biosciences = Theorie in den Biowissenschaften, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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4 · The record

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5 · Who and what money

Authors and funding

9 authors.

Xiaoting ChenUniversity Paris City & University of Reunion, 75015, Paris, France.
Chon-Fai KamUniversity Paris City & University of Reunion, 75015, Paris, France.
Yu LiSchool of Information Science and Technology and Beijing Institute of Artificial Intelligence, Beijing, China.
David Medina-OrtizDepartamento de Ingeniería en Computación, Universidad de Magallanes, Punta Arenas, Chile.
Cedric DamourENERGYLab, University of Reunion, Saint-Denis, France.
Jean Pierre ChabriatENERGYLab, University of Reunion, Saint-Denis, France.
Alain MiranvilleLaboratoire de Mathématiques Appliquées du Havre (LMAH), Université Le Havre Normandie, Le Havre, France.
Miloud BessafiENERGYLab, University of Reunion, Saint-Denis, France.
Frederic CadetUniversity Paris City & University of Reunion, 75015, Paris, France. frederic.cadet.run@gmail.com.

Funding

FONDECYT 11250295Région Réunion and European Union (FEDER INTERREG 2021-2027) DESVE/20251283; Ref. D2026/3446the Centre for Biotechnology and Bioengineering, ANID, Chile PIA Project FB0001, AFB240001
6 · The paper itself

Abstract

Protein function may depend not only on endpoint conformations but also on the ordered deformation histories through which they are reached. This distinction is relevant to allostery, conformational switching, mutation-induced rearrangements, and epistatic effects, where different perturbation sequences may produce similar visible structures while retaining distinct internal transport histories. Current state-centered or endpoint-centered representations do not always preserve this order-sensitive information. The practical motivation is therefore to provide a foundation for future descriptors of protein deformation trajectories that can distinguish ordered histories even when endpoint conformations are similar. Such descriptors could support analyses of allosteric switching, mutation-order effects, conformational memory, and path-dependent response in molecular-dynamics trajectories, NMR ensembles, structural families, and outputs of geometric generative models. We propose a deformation-first geometric framework based on quaternionic frame transport along the protein backbone. Local backbone frames are lifted to quaternionic variables, with infinitesimal rotation encoded by [Formula: see text]. Ordered concatenation of admissible deformation paths generates a noncommutative transport algebra, recording that deformation [Formula: see text] followed by [Formula: see text] need not be equivalent to [Formula: see text] followed by [Formula: see text]. From this ordered transport layer, we construct a spectral-response layer comprising a global Dirac-type operator, local spectral germs, a renormalized spectral density, and a mixed response form. A minimal realization on an idealized α-helix shows how localized pitch and bending perturbations can yield similar endpoint descriptors while producing a nonzero endpoint-derived ordered-transport discrepancy. At the formal level, the framework separates an order-sensitive transport-memory sector, lost under a commutative shadow, from a spectral-response sector that remains visible.

Indexed as

Protein ConformationProteinsAlgorithmsAllosteric RegulationModels, MolecularMolecular Dynamics SimulationMutationProteinsNoncommutative geometryOrdered transport algebraProtein deformationQuaternionic frame transportSpectral responseTransport memory

Identifiers

PMID42768230
PMCPMC13593740

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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.