Physics-guided design of intrinsically disordered proteins
Neha Tyagi, Jackson Boodry, Vita Chou, Wilton T. SneadiD, Krishna ShrinivasiD
Abstract
Intrinsically disordered protein regions (IDPs) are found across the tree of life and characterized by the lack of a stable 3D fold, encoding function through a vast ensemble of conformations. This plasticity makes rational design of IDPs challenging. Physics-based approaches capturing distinct aspects of sequence composition, charge patterning, and molecular interactions have emerged as powerful predictors of ensemble-derived properties. Here, we present a machine learning framework for proteome-scale de novo IDP design by rationally inverting physics-based models. We first program IDPs to tunably sense and respond to diverse biophysical cues and show that IDP ensembles can directly encode complex signal processing, including threshold detection, bandpass filtering, and Boolean-type multi-input logic. We next engineer multicomponent IDP mixtures with tailored emergent condensate properties, including layering and number of phases, compositional specificity, and RNA-dependent remodeling of structure and composition. Finally, we demonstrate designed IDPs that selectively partition into or deplete from biological condensates in living cells. Together, our framework establishes a flexible and scalable strategy for design of ensemble-derived and collective properties in dynamic biomolecules.
02 /Specification & Classification
Click any tag to browse matching papers- Citations
- 0
- Assay
- Research Focus
- Approach
Reproducibility ledger
Nobody has reported trying to reproduce this paper yet. Did you replicate an experiment or run the code? Your report saves the next lab a week.
Sign in to file a reproducibility report.
Related papers
- Generalized design of sequence-ensemble-function relationships for intrinsically disordered proteins
Ryan Krueger, Michael P. Brenner, Krishna Shrinivas·Nature Computational SciencePeer-reviewed·Oct 6, 2025
- Design of intrinsically disordered protein variants with diverse structural properties
F. Pesce, A. Bremer, … K. Lindorff-Larsen·bioRxiv·Oct 22, 2023
- Generative design of intrinsically disordered proteins based on conditioned protein language models: Data is the limit
Laure Carriere, Alexandre Huyghe, … Juan Cortés·bioRxiv·Apr 16, 2026
- Computational design of intrinsically disordered protein regions by matching bulk molecular properties
Bob Strome, Khaled Elemam, … Alan M Moses·bioRxiv·Apr 28, 2023
- Analysis and design of disordered polypeptides with optimized sequence patterning properties
Arjun Singh, Ali Ukperaj, … Gregory L. Dignon·PLoS Computational BiologyPeer-reviewed·Jul 8, 2026
- Structural biases in disordered proteins are prevalent in the cell
D. Moses, K. Guadalupe, … S. Sukenik·bioRxiv·Nov 24, 2021