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Record W2910356247 · doi:10.1021/acs.chemrev.8b00460

Computational Modeling of Realistic Cell Membranes

2019· review· en· W2910356247 on OpenAlexafffund
‪Siewert J. Marrink, Valentina Corradi, Paulo C. T. Souza, Helgi I. Ingólfsson, D. Peter Tieleman, Mark S.P. Sansom

Bibliographic record

VenueChemical Reviews · 2019
Typereview
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicLipid Membrane Structure and Behavior
Canadian institutionsUniversity of Calgary
FundersLawrence Livermore National LaboratoryNatural Sciences and Engineering Research Council of CanadaAlberta Innovates - Technology FuturesEngineering and Physical Sciences Research CouncilWellcomeCanadian Institutes of Health ResearchBiotechnology and Biological Sciences Research CouncilCanada Research ChairsWellcome TrustH2020 European Research CouncilAlberta InnovatesU.S. Department of Energy
KeywordsMembraneChemistryVariety (cybernetics)OrganelleBiochemical engineeringNanotechnologyComputational modelField (mathematics)Biological systemComputer scienceArtificial intelligenceEngineeringMaterials scienceBiology

Abstract

fetched live from OpenAlex

Cell membranes contain a large variety of lipid types and are crowded with proteins, endowing them with the plasticity needed to fulfill their key roles in cell functioning. The compositional complexity of cellular membranes gives rise to a heterogeneous lateral organization, which is still poorly understood. Computational models, in particular molecular dynamics simulations and related techniques, have provided important insight into the organizational principles of cell membranes over the past decades. Now, we are witnessing a transition from simulations of simpler membrane models to multicomponent systems, culminating in realistic models of an increasing variety of cell types and organelles. Here, we review the state of the art in the field of realistic membrane simulations and discuss the current limitations and challenges ahead.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Review · Consensus signal: Review
Teacher disagreement score0.003
Threshold uncertainty score0.009

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0010.001
Science and technology studies0.0000.001
Scholarly communication0.0020.002
Open science0.0030.002
Research integrity0.0020.002
Insufficient payload (model declined to judge)0.0030.002

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.068
GPT teacher head0.347
Teacher spread0.279 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
Domainnot available
GenreReview

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations738
Published2019
Admission routes2
Has abstractyes

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