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Editorial: Machine Learning for Structural Biology
Gabriele Corso, Gina El Nesr, and Hannah K. Wayment-Steele
PRX Life 2, 040001 (2024)

EDITORIALS AND ANNOUNCEMENTS

Editorial: Machine Learning for Structural Biology

Gabriele Corso, Gina El Nesr, and Hannah K. Wayment-Steele

PRX Life 2, 040001 (2024) - Published 21 November, 2024

HIGHLIGHTED ARTICLES

Hydrodynamic Mechanism for Stable Spindle Positioning in Meiosis II Oocytes

Weida Liao and Eric Lauga

PRX Life 2, 043003 (2024) - Published 16 October, 2024

This study shows analytically and numerically how fluid flow inside egg cells helps keep the spindle, a key structure for cell division, securely positioned near the cell’s surface.

Dynamics of Dominance in Interacting Zebrafish

Liam O'Shaughnessy, Tatsuo Izawa, Ichiro Masai, Joshua W. Shaevitz, and Greg J. Stephens

PRX Life 2, 043006 (2024) - Published 25 October, 2024

Advanced analysis of 3D fish trajectories reveals key behavioral patterns—rapid maneuvers and subtle orientation shifts—in male zebrafish contests that predict winner-loser dynamics, with losers escalating aggression toward the end.

Evolutionary Innovation by Polyploidy

Tetsuhiro S. Hatakeyama and Ryudo Ohbayashi

PRX Life 2, 043021 (2024) - Published 23 December, 2024

Increasing chromosome numbers can enable novel traits in evolving organisms by enabling them to cross fitness valleys using redundancy, demonstrating how evolutionary innovation could select for the optimal number of chromosomes in polyploid bacteria.

ARTICLES

Conditioned Protein Structure Prediction

Tengyu Xie, Zilin Song, and Jing Huang

PRX Life 2, 043001 (2024) - Published 4 October, 2024

AFEXplorer tailors AlphaFold’s predictions by incorporating user-defined constraints to generate alternative protein conformations that match specific functional states – a tool for exploring dynamic protein structures, such as kinase activation states and membrane transporter configurations.

Spatiotemporal Modeling of Mitochondrial Network Architecture

Keaton B. Holt, Julius Winter, Suliana Manley, and Elena F. Koslover

PRX Life 2, 043002 (2024) - Published 8 October, 2024

Individual mitochondria transition between fragmented units and highly connected tubular structures. This study shows how the network’s architecture is linked to local parameters such as fusion and fission rates, and mechanical constraints.

Hydrodynamic Mechanism for Stable Spindle Positioning in Meiosis II Oocytes

Weida Liao and Eric Lauga

PRX Life 2, 043003 (2024) - Published 16 October, 2024

This study shows analytically and numerically how fluid flow inside egg cells helps keep the spindle, a key structure for cell division, securely positioned near the cell’s surface.

Signatures of Structural Disorder in the Developing Drosophila Germband Epithelium

Christian Cupo, Cole Allan, Vikram Ailiani, and Karen E. Kasza

PRX Life 2, 043004 (2024) - Published 21 October, 2024

Live imaging of developing Drosophila embryos reveals how internal and external stresses shape tissue shear and volumetric disorders, providing insights into the physical constraints acting during morphogenesis.

Mitochondrial Network Branching Enables Rapid Protein Spread with Slower Mitochondrial Dynamics

Prabha Chuphal, Jordan D. Lanctôt, Sean P. Cornelius, and Aidan I. Brown

PRX Life 2, 043005 (2024) - Published 22 October, 2024

Stochastic simulations elucidate the roles and interplay of branching, connectivity and dynamical fusion and fission on transport of proteins and other molecules in mitochondrial networks.

Dynamics of Dominance in Interacting Zebrafish

Liam O'Shaughnessy, Tatsuo Izawa, Ichiro Masai, Joshua W. Shaevitz, and Greg J. Stephens

PRX Life 2, 043006 (2024) - Published 25 October, 2024

Advanced analysis of 3D fish trajectories reveals key behavioral patterns—rapid maneuvers and subtle orientation shifts—in male zebrafish contests that predict winner-loser dynamics, with losers escalating aggression toward the end.

Confinement Modulates Axial Patterning in Regenerating Hydra

Yonit Maroudas-Sacks, Liora Garion, S. Suganthan, Marko Popović, and Kinneret Keren

PRX Life 2, 043007 (2024) - Published 28 October, 2024

Studies of regenerating Hydra confined in narrow channels reveal that geometric frustration can induce multiaxial morphologies, suggesting that mechanical forces play a key role in patterning the animal’s body plan.

Unclocklike Oscillators with Frequency Memory for the Entrainment of Biological Clocks

Christian Mauffette Denis and Paul François

PRX Life 2, 043008 (2024) - Published 31 October, 2024

By extending a previous segmentation clock model to include memory, the authors offer new insights into entrainment and explain how embryonic cells can adapt their internal rhythms in response to external cues.

Transiently Increased Coordination in Gene Regulation During Cell Phenotypic Transitions

Weikang Wang, Ke Ni, Dante Poe, and Jianhua Xing

PRX Life 2, 043009 (2024) - Published 5 November, 2024

A dynamical systems analysis of scRNA-seq data reveals that during cell phenotypic transitions, intercommunity interactions spike to coordinate global gene expression reprogramming, guiding cells toward a specific phenotype.

Learning Collective Cell Migratory Dynamics from a Static Snapshot with Graph Neural Networks

Haiqian Yang, Florian Meyer, Shaoxun Huang, Liu Yang, Cristiana Lungu, Monilola A. Olayioye, Markus J. Buehler, and Ming Guo

PRX Life 2, 043010 (2024) - Published 7 November, 2024

Using a geometric deep learning model, this study demonstrates prediction of collective cell dynamics from static images using both experimental and synthetic datasets, and identifies key features influencing model accuracy with ablation study.

Bifurcation Enhances Temporal Information Encoding in the Olfactory Periphery

Kiri Choi, Will Rosenbluth, Isabella R. Graf, Nirag Kadakia, and Thierry Emonet

PRX Life 2, 043011 (2024) - Published 12 November, 2024

Operating near a bifurcation point, olfactory neurons achieve robust encoding of odor dynamics without the need for fine-tuning, a crucial property that might explain Drosophila’s ability to navigate fluctuating odor plumes.

Protein Design by Integrating Machine Learning and Quantum-Encoded Optimization

Veronica Panizza, Philipp Hauke, Cristian Micheletti, and Pietro Faccioli

PRX Life 2, 043012 (2024) - Published 15 November, 2024

Combining machine learning for structure prediction with quantum-inspired optimization for sequence selection, a new algorithm enables efficient and stable protein design.

Jointly Embedding Protein Structures and Sequences through Residue Level Alignment

Foster Birnbaum, Saachi Jain, Aleksander Madry, and Amy E. Keating

PRX Life 2, 043013 (2024) - Published 19 November, 2024

Residue Level Alignment integrates protein sequence and structure information in a self-supervised model, improving speed and precision in predicting protein binding and structural stability.

Task Learning through Stimulation-Induced Plasticity in Neural Networks

Francesco Borra, Simona Cocco, and Rémi Monasson

PRX Life 2, 043014 (2024) - Published 26 November, 2024

Taking a control theory approach, a proposed method is able to guide plastic neural networks with arbitrary initial connectivity toward a desired function through adequate spatiotemporal stimulation, demonstrating a potential pathway to computation based on real neurons.

Escherichia coli Maintains pH via the Membrane Potential

Guillaume Terradot, Ekaterina Krasnopeeva, Peter S. Swain, and Teuta Pilizota

PRX Life 2, 043015 (2024) - Published 27 November, 2024

New experiments and modeling show that E. coli use proton-ion antiporters to modulate membrane potential, and that the strength of the resulting proton motive force governs the bacterial ability to maintain near-neutral pH and cellular homeostasis.

One Nose but Two Nostrils: Learning to Align with Sparse Connections between Two Olfactory Cortices

Bo Liu, Shanshan Qin, Venkatesh N. Murthy, and Yuhai Tu

PRX Life 2, 043016 (2024) - Published 2 December, 2024

Sparse connectivity between brain hemispheres is sufficient to learn and achieve bilateral alignment based on a realistic local learning rule.

Mechanisms of Chromosome Positioning During Mitosis

Ivan Sigmund, Domagoj Božan, Ivana Šarić, and Nenad Pavin

PRX Life 2, 043017 (2024) - Published 5 December, 2024

The well-coordinated movement of chromosomes from the cell’s periphery to its center—a critical aspect of cell division— can be driven by length-dependent pulling forces generated by motor proteins and passive crosslinkers, as shown in this study.

KnotFold: Improving Peptide Structure Predictions with Simulated Coevolution

Gabriella J. Gerlach and John M. Nicoludis

PRX Life 2, 043018 (2024) - Published 10 December, 2024

KnotFold, a method that mutates conserved cysteine residues in multiple sequence alignments to simulate protein coevolution, enables AlphaFold2 to correct mispredicted disulfide connectivity patterns.

Mpemba-Like Sensory Withdrawal Effect

Asawari Pagare and Zhiyue Lu

PRX Life 2, 043019 (2024) - Published 17 December, 2024

A benchmark reveals a counterintuitive “withdrawal effect” where biological sensors become more sensitive after briefly recovering from high ligand exposure, even in comparison to a fresh sensor starting at a low-ligand concentration environment.

Inferring Nonlinear Dynamics of Cell Migration

Pedrom Zadeh and Brian A. Camley

PRX Life 2, 043020 (2024) - Published 20 December, 2024

Cell size, stiffness, and environment geometry dictate cell migration patterns, which explains both healthy and cancer cell behaviors - this study provides a general framework to predict how cells respond to confinement.

Evolutionary Innovation by Polyploidy

Tetsuhiro S. Hatakeyama and Ryudo Ohbayashi

PRX Life 2, 043021 (2024) - Published 23 December, 2024

Increasing chromosome numbers can enable novel traits in evolving organisms by enabling them to cross fitness valleys using redundancy, demonstrating how evolutionary innovation could select for the optimal number of chromosomes in polyploid bacteria.

Coupled Dynamics in Phenotype and Tissue Spaces Shape the Three-Dimensional Cancer Invasion

Austin Naylor, Maximilian Libmann, Izabel Raab, Wouter-Jan Rappel, and Bo Sun

PRX Life 2, 043022 (2024) - Published 24 December, 2024

Based on an in vitro 3D ECM model, filopodial cells characterized by their dynamic protrusions and enhanced motility, emerge as key drivers of tumor invasion, adapting to and remodeling their microenvironment.

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