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## Unlocking Protein Dynamics Through X-Ray Crystallography
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Structural biology has long been a key enabler for drug discovery, and for understanding protein function. As a field, structural biology has come a long way towards our understanding of static protein structures. But, proteins are dynamic and their functions are critically linked to fluctuations in state and motion. Our ability to measure these protein motions experimentally has been limited. To unlock the next frontier of advancements, we need more new method advancements, more experimental data, and better ways to model and encode the dynamics of proteins.
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## Unlocking Protein Dynamics
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Structural biology has long been a key enabler for drug discovery and for understanding protein function. As a field, structural biology has come a long way towards our understanding of static protein structures. But, proteins are dynamic and their functions are critically linked to fluctuations in state and motion. Our ability to measure these protein motions experimentally has been limited. To unlock the next frontier of advancements, we need more new method advancements, more experimental data, and better ways to model and encode the dynamics of proteins.
The Diffuse Project is dedicated to advancing our understanding of protein motion through the use of diffuse scattering: a signal measured by X-ray crystallography, which is currently ignored, but could unlock our ability to measure protein dynamics.
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The Diffuse Project is dedicated to advancing our understanding of protein motion through the use of diffuse scattering: a largely overlooked signal measured by X-ray crystallography that could unlock our ability to measure protein dynamics. Concurrently, the Diffuse Project aims to build the infrastructure for learning and representing the rich information from this data.
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The project aims to build the infrastructure for learning and representing the rich information from this data.
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The Diffuse Project was co-developed with funders and a team of software developers, beamline scientists, structural biologists (experimental and computational), and modelers. The team includes both dedicated staff and institutional researchers to enable fast-paced infrastructure-building and specialized basic research. We will tackle the problem at a systems level by jointly iterating on data collection, sample preparation, hardware, software development, modeling algorithm development, and encoding strategies.
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The Diffuse Project was co-developed with funders and scientists. The team includes both dedicated staff and institutional researchers to enable fast-paced infrastructure-building and specialized basic research.
We believe that changing the way protein motion is understood will require not just new methods but also new ways we work together as scientists. Namely, we are experimenting with how we coordinate efforts across the team and also how we share our scientific process and results. Testing new modes of operating on these fronts to increase our impact is a central part of our funding mandate.
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We believe that changing the way protein motion is understood will require not just new methods but also new ways we work together as scientists. Namely, we are experimenting with how we coordinate efforts across the team and also how we share our scientific process and results.
We’re working on a greenfield problem in a multi-dimensional methods system. Each part of our workflow depends on the others, so co-iterating across the full cycle significantly expands what you can try.
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Therefore, we’re testing a new way to fund several parts of the pipeline at once, enabling team members to closely design and coordinate different dimensions. We hope a more holistic approach to rethinking data systems changes what’s possible and scalable.
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Therefore, we’re testing a new way to fund several parts of the pipeline at once, enabling team members to closely design and coordinate different dimensions. We hope a more holistic approach to rethinking what changes are possible and scalable.
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#### Publishing
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We want our science to be rigorous. We also want our tools to be useful, as adoption of our methods across the structural biology community will drive the impact of our work across basic and translational science. This means opening up more of our process as quickly as possible.
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We strive for scientific rigor while ensuring our tools are broadly useful, as widespread adoption across the structural biology community will amplify our impact in both basic and translational science. To achieve this, we commit to opening our processes and [sharing our methods as early as possible]((https://diffuse.science/posts/).
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Therefore, we’re an open science project experimenting with novel [publishing practices](https://zenodo.org/records/15548989) outside of traditional journals, in accordance with Astera’s publication policy. The Diffuse Project is committed to transparency, collaboration, and scientific reproducibility. We’re exploring tooling, governance, and participation models to make our work globally accessible across sectors.
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Specifically, we are experimenting with novel [publishing practices](https://zenodo.org/records/15548989) outside of traditional journals, in accordance with Astera’s publication policy.
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Check back with us [here](https://diffuse.science/posts/) for updates on all of our various experiments!
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