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    Biological Transport and Networks Integrating computation, theory and experimental data to decipher the inner workings of living processes.

    Biomolecular Design Using exotic building blocks to design novel heteropolymers that fold into well-defined 3D structures.

    Biophysical Modeling Modeling and simulating the complex systems that arise in biology and soft condensed matter physics.

    CCBScope Observatory The Flatiron Institute's in-house, state-of-the-art imaging facility for live-cell confocal microscopy.

    CCBx Uniting theorists and experimentalists to develop and test theories of biological systems.

    COMPASS Connecting researchers working on molecular sampling, simulation and design.

    Developmental Dynamics Combining experiment, theory and computing to elucidate the inner workings of embryonic development.

    Genomics Working to unravel the complexity of the genome, its regulation and its phenotypic consequences.

    Statistical Biophysics Developing a nonequilibrium physics of living systems and learning machines.

    Structural and Molecular Biophysics Developing novel mathematical approaches to decipher the molecular mechanisms involved in key biological processes.

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Flatiron Institute Computational Biology

Computational Biology: Publications

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  1. In-Context Denoising with One-Layer Transformers: Connections between Attention and Associative Memory Retrieval

    International Conference on Machine Learning, arxiv:2502.05164, 2025

    M. Smart, A. Bietti, and A. Sengupta

  2. Heuristic energy-based cyclic peptide design

    Computational Biology, bioRxiv, April 30, 2025

    Q. Zhu, V. Mulligan, and Dennis Shasha

  3. Charge distribution and helicity tune the binding of septin's amphipathic helix domain to membranes

    Biophysical Journal, 2025

    C. Edelmaier, et al.

  4. Charge distribution and helicity tune the binding of septin's amphipathic helix domain to membranes

    Biophysical Journal, April 15, 2025

    C. Edelmaier, et al.

  5. Formation of Drosophila germ cells requires spatial patterning of phospholipids

    Cell Biology, April 7, 2025

    Marcus Kilwein, et al.

  6. Simulation-based inference of single-molecule experiments

    Current Opinion in Structural Biology, arxiv:2410.15896, 2025

    Lars Dingeldein, P. Cossio, and Roberto Covino

  7. InstaMap: instant-NGP for cryo-EM density maps

    Acta Crystallographica D, April 1, 2025

    Geoffrey Woollard, et al.

  8. Counting particles could give wrong probabilities in Cryo-Electron Microscopy

    bioRxiv, March 28, 2025

    L. Evans, et al.

  9. Counting particles could give wrong probabilities in Cryo-Electron Microscopy

    bioRxiv, March 28, 2025

    L. Evans, et al.

  10. Active Hydrodynamic Theory of Euchromatin and Heterochromatin

    arXiv, March 26, 2025

    Alex Rautu, Alexandra Zidovska, David Saintillan, and M. Shelley

  11. Coarse-graining bacterial diffusion in disordered media to surface states

    Biophysics and Computational Biology, March 21, 2025

    H. Mattingly

  12. Recent Advances in Membrane Protein Simulations

    The Journal of Physical Chemistry B, March 13, 2025

    James C. Gumbart and S. Hanson

  13. Bacterial motility depends on a critical flagellum length and energy-optimized assembly

    PNAS, March 11, 2025

    Manuel Halte, et al.

  14. PLUMED Tutorials: a collaborative, community-driven learning ecosystem

    The Journal of Chemical Physics, arXiv, March 7, 2025

    Gareth A. Tribello, et al.

  15. PLUMED Tutorials: a collaborative, community-driven learning ecosystem

    The Journal of Chemical Physics, arXiv, March 7, 2025

    Gareth A. Tribello, et al.

  16. A model for boundary-driven tissue morphogenesis

    arXiv, March 5, 2025

    Daniel S. Alber, et al.

  17. A new statistical metric for robust target detection in cryo-EM using 2D template match

    IUCrJ, March 1, 2025

    Kexin Zhang, et al.

  18. CyclicCAE: A Conformational Autoencoder for Efficient Heterochiral Macrocyclic Backbone Sampling

    bioRxiv, February 27, 2025

    Andrew C. Powers, D. Renfrew, Parisa Hosseinzadeh, and V. Mulligan

  19. Stochastic dynamics of granular hopper flows: A configurational mode controls the stability of clogs

    Physical Review E, February 24, 2025

    David Hathcock, et al.

  20. Nongenetic adaptation by collective migration

    Systems Biology, February 19, 2025

    Lam Vo, et al.

  21. The ManifoldEM method for cryo-EM: a step-by-step breakdown accompanied by a modern Python implementation

    Acta Crystallographica D, 2025

    A. Ojha, et al.

  22. The ManifoldEM method for cryo-EM: a step-by-step breakdown accompanied by a modern Python implementation

    Acta Crystallographica D, February 17, 2025

    A. Ojha, et al.

  23. In vivo measurements of receptor tyrosine kinase activity reveal feedback regulation of a developmental gradient

    bioRxiv, January 7, 2025

    Emily K. Ho, et al.

  24. Geometry of Optimal Control in Chemical Reaction Networks in the Adiabatic Limit

    Physical Review Letters, January 6, 2025

    Yikuan Zhang, Qi Ouyang, and Y. Tu

  25. Geometric model for dynamics of motor-driven centrosomal asters

    Physical Review Research, January 3, 2025

    Yuan-Nan Young, Vicente Gomez Herrera, Huan Zhang, R. Farhadifar, and M. Shelley

  26. CryoLike: A python package for cryo-electron microscopy image-to-structure likelihood calculations

    Acta Crystallographica Section D, Structural Biology, bioRxiv, 2025

    W. Wai Shing, J. Soules, A. Rangan, and P. Cossio

  27. Classical variational phase-field models cannot predict fracture nucleation

    Computer Methods in Applied Mechanics and Engineering, January 1, 2025

    Oscar Lopez-Pamies, John E. Dolbow, G. Francfort, and Christopher J. Larsen

  28. CryoLike: A python package for cryo-electron microscopy image-to-structure likelihood calculations

    Acta Crystallographica Section D, Structural Biology, bioRxiv, 2025

    W. Wai Shing, J. Soules, A. Rangan, and P. Cossio

  29. The 2024 New York City Integrative Structural Biology Symposium

    Trends in Pharmacological Sciences, January 1, 2025

    P. Cossio and Edward T. Eng

  30. Uniqueness, regularity and characteristic flow for a non strictly convex singular variational problem

    arxiv:2312.01849, 2024

    Jean-Francois Babadjian and G. Francfort

  31. Liquid Filled Elastomers: From Linearization to Elastic Enhancement

    Archive for Rational Mechanics and Analysis, arXiv:2309.03630, 2024

    Juan Casado Dìaz and G. Francfort

  32. Learning locally dominant force balances in active particle systems

    Proceedings of the Royal Society A, December 18, 2024

    Dominik Sturm, S. Maddu, and Ivo F. Sbalzarini

  33. Estimating the tails of the spectrum of the Hessian of the log-likelihood for \textit{ab-initio} single-particle reconstruction in electron cryomicroscopy

    arXiv, November 20, 2024

    A. Rangan, et al.

  34. A robust and versatile computational peptide design pipeline to inform wet-lab experiments

    Canadian Peptide and Protein Community, November 16, 2024

    V. Mulligan, Tristan Zaborniak, Benjamin P. Brown, and D. Renfrew

  35. Nuclear instance segmentation and tracking for preimplantation mouse embryos

    Development, November 6, 2024

    H. Nunley , et al.

  36. Dynamic allostery drives autocrine and paracrine TGF-β signaling

    Cell, 2024

    Mingliang Jin, et al.

  37. Automated single-cell omics end-to-end framework with data-driven batch inference

    Cell Systems, October 16, 2024

    Yun Wang, et al.

  38. Heterogeneity in ligand-bound TRPV1: A comparison of methods in cryo-EM and molecular dynamics simulation

    bioRxiv, October 11, 2024

    M. Astore, R. Blackwell, David Silva-Sánchez, P. Cossio, and S. Hanson

  39. Mechanics and morphology of proliferating cell collectives with self-inhibiting growth

    Physical Review Letters, October 10, 2024

    S. Weady, Bryce Palmer, A. Lamson, Taeyoon Kim, R. Farhadifar, and M. Shelley

  40. Active learning of Boltzmann samplers and potential energies with quantum mechanical accuracy

    Journal of Chemical Theory and Computation, 2024

    Ana Molina-Taborda, et al.

  41. Spatiotemporal dynamics of nucleocytoplasmic transport

    Physical Review Research, October 7, 2024

    A. Rautu, Alexandra Zidovska, and M. Shelley

  42. Minimal motifs for habituating systems

    Proceedings of the National Academy of Science of the USA, October 4, 2024

    M. Smart, S. Shvartsman, and Martin Mönnigmann

  43. New Statistical Metric for Robust Target Detection in Cryo-EM Using 2DTM

    bioRxiv, October 3, 2024

    Kexin Zhang, et al.

  44. Collagen-targeted protein nanomicelles for the imaging of non-alcoholic steatohepatitis

    Acta Biomaterialia, October 1, 2024

    Andrew L. Wang, Orin Mishkit, and D. Renfrew

  45. Active morphodynamics of intracellular organelles in the trafficking pathway

    arXiv, September 27, 2024

    A. Rautu, Richard G. Morris, and Madan Rao

  46. Innate immune epigenomic landscape following controlled human influenza virus infection

    bioRxiv, September 24, 2024

    William Thistlethwaite, et al.

  47. Supercharged Phosphotriesterase for improved Paraoxon activity

    Protein Engineering, Design and Selection, September 18, 2024

    Jacob Kronenberg, et al.

  48. OpenRAND: A performance portable, reproducible random number generation library for parallel computations

    SoftwareX, September 1, 2024

    Shihab Shahriar Khan, Bryce Palmer, C. Edelmaier, and Hasan Metin Aktulga

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