Hsp70 chaperones, together with J‑domain protein (JDP) co-chaperones, play a central role in maintaining protein homeostasis within cells. Using structural data and all-atom simulations, we found that when a J-domain binds Hsp70 it gives a “steric push” that changes Hsp70’s conformation. These changes, propagated through coordinated global and local rearrangements, reposition the conserved T199 hydroxyl adjacent to the ATP γ-phosphate, promoting ATP hydrolysis. This explains how J-domain binding powers Hsp70’s chaperone activity. Olewniczak et al. 2026
Image Credit: Michał Olewniczak, Marcin Pitek, Jacek Czub, Jaroslaw Marszalek, Łukasz Nierzwicki, and Bartlomiej Tomiczek
Education
Online tutorial on survival analysis for biomarker discovery
PLOS Computational Biology: published March 20, 2026 | https://doi.org/10.1371/journal.pcbi.1014046
Review
Physical models of embryonic epithelial healing
PLOS Computational Biology: published March 25, 2026 | https://doi.org/10.1371/journal.pcbi.1014078
Research Articles
Assessment of dispersion metrics for estimating single-cell transcriptional variability
PLOS Computational Biology: published March 2, 2026 | https://doi.org/10.1371/journal.pcbi.1014030
Combining visual motion and luminance features to enhance the detection of small moving objects in a bioinspired model
PLOS Computational Biology: published March 2, 2026 | https://doi.org/10.1371/journal.pcbi.1014036
Topological metrics as evolutionary and dynamical descriptors of conformational landscapes within protein families
PLOS Computational Biology: published March 4, 2026 | https://doi.org/10.1371/journal.pcbi.1013985
Quantifying the spatiotemporal dynamics of the first two epidemic waves of SARS-CoV-2 infections in the United States
PLOS Computational Biology: published March 4, 2026 | https://doi.org/10.1371/journal.pcbi.1013983
Unique ecology of co-occurring functionally and phylogenetically undescribed species in the infant oral microbiome
PLOS Computational Biology: published March 5, 2026 | https://doi.org/10.1371/journal.pcbi.1013185
Contrastive learning for passive acoustic monitoring: A framework for sound source discovery and cross-site comparison in marine soundscapes
PLOS Computational Biology: published March 6, 2026 | https://doi.org/10.1371/journal.pcbi.1014005
A reinforcement learning and sequential sampling model constrained by gaze data
PLOS Computational Biology: published March 6, 2026 | https://doi.org/10.1371/journal.pcbi.1014052
Morphological determinants of glycosylation efficiency in Golgi cisternae
PLOS Computational Biology: published March 6, 2026 | https://doi.org/10.1371/journal.pcbi.1013993
Reconstructing the incidence rate and immune fraction of the population via a single snapshot survey: A case study of COVID-19 in Japan
PLOS Computational Biology: published March 6, 2026 | https://doi.org/10.1371/journal.pcbi.1013990
An integrative analysis reveals the mechanism of plastic stabilizers inducing breast cancer
PLOS Computational Biology: published March 6, 2026 | https://doi.org/10.1371/journal.pcbi.1014025
Burst firing creates an attractor in synaptic weight dynamics
PLOS Computational Biology: published March 9, 2026 | https://doi.org/10.1371/journal.pcbi.1014001
The integrated information Φ of an integrate and fire network
PLOS Computational Biology: published March 9, 2026 | https://doi.org/10.1371/journal.pcbi.1014085
Computing the effects of excitatory-inhibitory balance on neuronal input-output properties
PLOS Computational Biology: published March 9, 2026 | https://doi.org/10.1371/journal.pcbi.1013958
How the dynamic interplay of cortico-basal ganglia-thalamic pathways shapes the time course of deliberation and commitment
PLOS Computational Biology: published March 9, 2026 | https://doi.org/10.1371/journal.pcbi.1012966
Multi-ACPNet: A multi-scale sequence-structure feature fusion framework for anticancer peptide identification and functional prediction
PLOS Computational Biology: published March 10, 2026 | https://doi.org/10.1371/journal.pcbi.1014053
Inverse game theory characterizes frequency-dependent selection driven by karyotypic diversity in triple-negative breast cancer
PLOS Computational Biology: published March 10, 2026 | https://doi.org/10.1371/journal.pcbi.1013897
Coevolution of host resistance and pathogen exploitation in a propagule-mediated infection model
PLOS Computational Biology: published March 10, 2026 | https://doi.org/10.1371/journal.pcbi.1013999
MoCETSE: A mixture-of-convolutional experts and transformer-based model for predicting Gram-negative bacterial secreted effectors
PLOS Computational Biology: published March 11, 2026 | https://doi.org/10.1371/journal.pcbi.1013397
Free energy perturbations in enzyme kinetic models reveal cryptic epistasis
PLOS Computational Biology: published March 11, 2026 | https://doi.org/10.1371/journal.pcbi.1013493
Dynamics of the formation of flat clathrin lattices in response to growth factor stimulus
PLOS Computational Biology: published March 11, 2026 | https://doi.org/10.1371/journal.pcbi.1014013
Large-scale paired chain BCR analysis reveals antibody clonal family inference bias and enhances resolution with machine learning
PLOS Computational Biology: published March 11, 2026 | https://doi.org/10.1371/journal.pcbi.1014077
MultiPert: An adversarial alignment and dual attention framework for single-cell multi-omics perturbation prediction
PLOS Computational Biology: published March 11, 2026 | https://doi.org/10.1371/journal.pcbi.1014054
Social familiarity strengthens neural and vocal responses to conspecific calls in zebra finches
PLOS Computational Biology: published March 11, 2026 | https://doi.org/10.1371/journal.pcbi.1014024
Multi-omics and network pharmacology identify IGFBP1 as an m6A-Epigenetic target of pueraria in NSCLC therapy
PLOS Computational Biology: published March 12, 2026 | https://doi.org/10.1371/journal.pcbi.1014050
Interpretable integration of unpaired multi-omics for Alzheimer’s diagnosis via cross-modal transformer reconstruction
PLOS Computational Biology: published March 12, 2026 | https://doi.org/10.1371/journal.pcbi.1014074
Algorithmic reconstruction of trophic networks from open-access species lists reveals key organisms in real ecosystems
PLOS Computational Biology: published March 12, 2026 | https://doi.org/10.1371/journal.pcbi.1014061
Towards model-based characterization of individual electrically stimulated nerve fibers
PLOS Computational Biology: published March 13, 2026 | https://doi.org/10.1371/journal.pcbi.1013342
Optimizing oral contraceptive timing: Daytime intake reduces doses and enhances efficacy
PLOS Computational Biology: published March 13, 2026 | https://doi.org/10.1371/journal.pcbi.1014040
Hierarchical abstraction drives human-like 3-D shape processing in deep learning models
PLOS Computational Biology: published March 13, 2026 | https://doi.org/10.1371/journal.pcbi.1014047
CFGSCDSA: Predicting circRNA-drug sensitivity associations based on collaborative feature learning and graph structure learning
PLOS Computational Biology: published March 13, 2026 | https://doi.org/10.1371/journal.pcbi.1014072
Accurate prediction of flux distributions compatible with metabolite concentration effects in genome-scale metabolic networks
PLOS Computational Biology: published March 16, 2026 | https://doi.org/10.1371/journal.pcbi.1014066
Slow spatial migration can help eradicate cooperative antimicrobial resistance in time-varying environments
PLOS Computational Biology: published March 16, 2026 | https://doi.org/10.1371/journal.pcbi.1013997
Benchmarking spike source localization algorithms in high density probes
PLOS Computational Biology: published March 16, 2026 | https://doi.org/10.1371/journal.pcbi.1014059
Sub-national modelling of surveillance sensitivity to inform declaration of disease elimination: A retrospective validation against the elimination of wild poliovirus in Nigeria
PLOS Computational Biology: published March 16, 2026 | https://doi.org/10.1371/journal.pcbi.1013984
Integrated multi-modal data analysis for computational modeling of healthy and location-dependent myocardial infarction conditions in porcine hearts
PLOS Computational Biology: published March 16, 2026 | https://doi.org/10.1371/journal.pcbi.1013688
Do we need medical imaging-informed musculoskeletal models for simulations in healthy adults? A new workflow based on magnetic resonance imaging highlights the importance of personalized geometry
PLOS Computational Biology: published March 16, 2026 | https://doi.org/10.1371/journal.pcbi.1014073
Functional bottlenecks can emerge from non-epistatic underlying traits
PLOS Computational Biology: published March 16, 2026 | https://doi.org/10.1371/journal.pcbi.1014000
From noise to models to numbers: Evaluating negative binomial models and parameter estimations in single-cell RNA-seq
PLOS Computational Biology: published March 16, 2026 | https://doi.org/10.1371/journal.pcbi.1014014
Live and let die: Lysis time variability and resource limitation shape lytic bacteriophage fitness
PLOS Computational Biology: published March 16, 2026 | https://doi.org/10.1371/journal.pcbi.1013340
A benchmark of semi-supervised scRNA-seq integration methods in real-world scenarios
PLOS Computational Biology: published March 16, 2026 | https://doi.org/10.1371/journal.pcbi.1014008
Fast hospital discharge rates blur within-hospital ‘transmission footprint’ in bacterial genomes, as showcased with Staphylococcus aureus
PLOS Computational Biology: published March 16, 2026 | https://doi.org/10.1371/journal.pcbi.1013982
TUSCAN: Tumor segmentation and classification analysis in spatial transcriptomics
PLOS Computational Biology: published March 17, 2026 | https://doi.org/10.1371/journal.pcbi.1014058
Assessing the impact of climate and control interventions on spatio-temporal malaria dynamics using a stochastic metapopulation model
PLOS Computational Biology: published March 17, 2026 | https://doi.org/10.1371/journal.pcbi.1014004
Separating random and deterministic sources of computational noise in explore-exploit decisions
PLOS Computational Biology: published March 17, 2026 | https://doi.org/10.1371/journal.pcbi.1014026
Learning, sleep replay and consolidation of contextual fear memories: A neural network model
PLOS Computational Biology: published March 17, 2026 | https://doi.org/10.1371/journal.pcbi.1013251
Zero-shot prediction of drug responses using biologically informed neural networks trained on phosphoproteomic timeseries
PLOS Computational Biology: published March 18, 2026 | https://doi.org/10.1371/journal.pcbi.1014100
Direct causality measures unravel complex networks of cardiovascular dynamics and their modifications with postural stress
PLOS Computational Biology: published March 18, 2026 | https://doi.org/10.1371/journal.pcbi.1014075
Epistasis mediates the role of negative frequency-dependent selection in bacterial strain structure
PLOS Computational Biology: published March 19, 2026 | https://doi.org/10.1371/journal.pcbi.1014083
PHA synthase variant design using a conditional variational autoencoder
PLOS Computational Biology: published March 19, 2026 | https://doi.org/10.1371/journal.pcbi.1014087
Mechanism of Hsp70 activation: How J-domain proteins push for ATP hydrolysis
PLOS Computational Biology: published March 19, 2026 | https://doi.org/10.1371/journal.pcbi.1014094
Bayesian inference of RNA velocity incorporating timepoints, lineage bifurcations, and count data
PLOS Computational Biology: published March 20, 2026 | https://doi.org/10.1371/journal.pcbi.1014060
Thrombin activity confinement and dense granule release drive the dynamics of arterial thrombus
PLOS Computational Biology: published March 20, 2026 | https://doi.org/10.1371/journal.pcbi.1014062
Deciphering the cardiac neuron landscape in heart failure patients
PLOS Computational Biology: published March 20, 2026 | https://doi.org/10.1371/journal.pcbi.1014082
Contextual inference through flexible integration of environmental features and behavioural outcomes
PLOS Computational Biology: published March 20, 2026 | https://doi.org/10.1371/journal.pcbi.1014093
Prior-guided factorization for reliable imputation of scRNA-seq data
PLOS Computational Biology: published March 20, 2026 | https://doi.org/10.1371/journal.pcbi.1014051
Dense and distributed neuropeptide network in the nerve net of Hydra vulgaris
PLOS Computational Biology: published March 20, 2026 | https://doi.org/10.1371/journal.pcbi.1014037
D-LIM: A neural network for interpretable gene–gene interactions
PLOS Computational Biology: published March 23, 2026 | https://doi.org/10.1371/journal.pcbi.1014107
Predicting viral sensitivity to antibodies using genetic sequences and antibody similarities
PLOS Computational Biology: published March 23, 2026 | https://doi.org/10.1371/journal.pcbi.1014095
Sensitivity analysis enlightens effects of connectivity in a Neural Mass Model under Control-Target mode
PLOS Computational Biology: published March 23, 2026 | https://doi.org/10.1371/journal.pcbi.1014035
MPCI: A novel metric for quantifying DNA methylation patterns in NGS data
PLOS Computational Biology: published March 24, 2026 | https://doi.org/10.1371/journal.pcbi.1014076
A multimodal spatial atlas of transcriptomic, morphological, and electrophysiological cell type densities in the mouse brain
PLOS Computational Biology: published March 24, 2026 | https://doi.org/10.1371/journal.pcbi.1014106
A minimal mathematical model of red blood cell homeostasis in anemia
PLOS Computational Biology: published March 24, 2026 | https://doi.org/10.1371/journal.pcbi.1014111
Accounting for sensitivity of latent learning to behavioral statistics with successor representations
PLOS Computational Biology: published March 24, 2026 | https://doi.org/10.1371/journal.pcbi.1014131
HiCMamba: Enhancing Hi-C resolution and identifying 3D genome structures with state space modeling
PLOS Computational Biology: published March 24, 2026 | https://doi.org/10.1371/journal.pcbi.1014057
Overcoming extrapolation challenges of deep learning by incorporating physics in protein sequence-function modeling
PLOS Computational Biology: published March 25, 2026 | https://doi.org/10.1371/journal.pcbi.1013728
Rules railroad: Syntax-inspired diagrams for visualizing and understanding rule-based model specifications
PLOS Computational Biology: published March 25, 2026 | https://doi.org/10.1371/journal.pcbi.1014121
Enhancing anticancer peptide discovery: A fusion-centric framework with conditional diffusion for prediction and generation
PLOS Computational Biology: published March 26, 2026 | https://doi.org/10.1371/journal.pcbi.1014098
PymiRa: A rapid and accurate classification tool for small non-coding RNAs, including microRNAs
PLOS Computational Biology: published March 26, 2026 | https://doi.org/10.1371/journal.pcbi.1014114
Deconvolving cell-type-specific gene expression profiles from bulk RNA-seq samples
PLOS Computational Biology: published March 26, 2026 | https://doi.org/10.1371/journal.pcbi.1014101
Bayesian network models to assess antimicrobial resistance patterns of Streptococcus suis isolated from swine production systems in the United States between 2014–2021
PLOS Computational Biology: published March 26, 2026 | https://doi.org/10.1371/journal.pcbi.1014117
A modular architecture for trial-by-trial learning of redundant muscle activity patterns in novel sensorimotor tasks
PLOS Computational Biology: published March 27, 2026 | https://doi.org/10.1371/journal.pcbi.1012834
Emergent coexistence and the limits of reductionism in ecological communities
PLOS Computational Biology: published March 27, 2026 | https://doi.org/10.1371/journal.pcbi.1014116
An improved dataset for predicting mammal infecting viruses from genetic sequence information
PLOS Computational Biology: published March 27, 2026 | https://doi.org/10.1371/journal.pcbi.1014125
Role of fast-spiking interneurons in modulating across-trial variability and within-trial correlations in the striatum
PLOS Computational Biology: published March 27, 2026 | https://doi.org/10.1371/journal.pcbi.1014099
ECOD: Classification of domains in AFDB Swiss-Prot structure predictions
PLOS Computational Biology: published March 30, 2026 | https://doi.org/10.1371/journal.pcbi.1013431
CAPYBARA: A generalizable framework for predicting serological measurements across human cohorts
PLOS Computational Biology: published March 30, 2026 | https://doi.org/10.1371/journal.pcbi.1014129
WEPP: Phylogenetic placement achieves near-haplotype resolution in wastewater-based epidemiology
PLOS Computational Biology: published March 30, 2026 | https://doi.org/10.1371/journal.pcbi.1014124
Kernel-DMD for multiome data integration and control
PLOS Computational Biology: published March 31, 2026 | https://doi.org/10.1371/journal.pcbi.1014029
Network-based exploration of 4-(phenylsulfonyl)morpholine molecules for metastatic triple-negative breast cancer suppression
PLOS Computational Biology: published March 31, 2026 | https://doi.org/10.1371/journal.pcbi.1014132
Multiscale modeling of the spatial structure of stem cells in neuroblastoma patient-derived tumoroids reveals a critical role for a short-range diffusive process
PLOS Computational Biology: published March 31, 2026 | https://doi.org/10.1371/journal.pcbi.1014137
BIOPOINT: A particle-based model for probing nuclear mechanics and cell-ECM interactions via experimentally derived parameters
PLOS Computational Biology: published March 31, 2026 | https://doi.org/10.1371/journal.pcbi.1014113
Metacognitive efficiency in learned value-based choice
PLOS Computational Biology: published March 31, 2026 | https://doi.org/10.1371/journal.pcbi.1014108
Corrections
Correction: ToxoNet: A high confidence map of protein-protein interactions in Toxoplasma gondii
PLOS Computational Biology: published March 13, 2026 | https://doi.org/10.1371/journal.pcbi.1014086
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Methods
ConNIS and labeling instability: New statistical methods for improving the detection of essential genes in TraDIS libraries
PLOS Computational Biology: published March 6, 2026 | https://doi.org/10.1371/journal.pcbi.1013428
Fast and accessible morphology-free functional fluorescence imaging analysis
PLOS Computational Biology: published March 12, 2026 | https://doi.org/10.1371/journal.pcbi.1014038
An approximate-copula distribution for statistical modeling
PLOS Computational Biology: published March 13, 2026 | https://doi.org/10.1371/journal.pcbi.1013922
CTFacTomo: Reconstructing 3D spatial structures of RNA tomography transcriptomes by collapsed tensor factorization
PLOS Computational Biology: published March 13, 2026 | https://doi.org/10.1371/journal.pcbi.1013457
iSTTC: A robust method for accurate estimation of intrinsic neural timescales from single-unit recordings
PLOS Computational Biology: published March 16, 2026 | https://doi.org/10.1371/journal.pcbi.1013385
singIST: An integrative method for comparative single-cell transcriptomics between disease models and humans
PLOS Computational Biology: published March 16, 2026 | https://doi.org/10.1371/journal.pcbi.1014002
Bayesian-calibrated global sensitivity analysis for mathematical models using generative AI
PLOS Computational Biology: published March 16, 2026 | https://doi.org/10.1371/journal.pcbi.1013312
Approximate Bayesian inference of directed acyclic graphs in biology with flexible priors on edge states
PLOS Computational Biology: published March 16, 2026 | https://doi.org/10.1371/journal.pcbi.1014039
A coupling model of transcranial magnetic stimulation induced electric fields to neural state variables
PLOS Computational Biology: published March 20, 2026 | https://doi.org/10.1371/journal.pcbi.1013413
PepLM-GNN: A graph neural network framework leveraging pre-trained language models for peptide-protein binding prediction
PLOS Computational Biology: published March 24, 2026 | https://doi.org/10.1371/journal.pcbi.1014084
AEGIS: Individual-based modeling of life history evolution
PLOS Computational Biology: published March 26, 2026 | https://doi.org/10.1371/journal.pcbi.1014109
Extending differential gene expression testing to handle genome aneuploidy in cancer
PLOS Computational Biology: published March 27, 2026 | https://doi.org/10.1371/journal.pcbi.1014134
Software
EEG-Pype: An accessible MNE-Python pipeline with graphical user interface for preprocessing and analysis of resting-state electroencephalography data
PLOS Computational Biology: published March 2, 2026 | https://doi.org/10.1371/journal.pcbi.1014043
napariTFM: An open-source tool for traction force microscopy and monolayer stress microscopy
PLOS Computational Biology: published March 16, 2026 | https://doi.org/10.1371/journal.pcbi.1014045
ARNy plotter: A comprehensive web server for RNA ensemble structural analysis and visualization
PLOS Computational Biology: published March 31, 2026 | https://doi.org/10.1371/journal.pcbi.1013873