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Dynamic structural regulation of protein allostery

Transforming molecular dynamics into actionable insights through advanced modeling and validation techniques.

Innovative Data Engineering Solutions

Specializing in allosteric datasets and advanced modeling techniques for structural biology applications.

A person wearing a white lab coat is seated at a desk, working on a computer. The computer screen displays what appears to be a digital model or design. The workspace includes a shelf with technical equipment and tools scattered on the desk. A window allows natural light to enter the room, illuminating the scene.
A person wearing a white lab coat is seated at a desk, working on a computer. The computer screen displays what appears to be a digital model or design. The workspace includes a shelf with technical equipment and tools scattered on the desk. A window allows natural light to enter the room, illuminating the scene.

Data Engineering Services

Specializing in allosteric datasets, spatiotemporal graphs, and advanced model development for structural biology.

Dynamic GNN Models

Utilizing edge weights and attention layers to enhance predictions for high-entropy residues in dynamics.

A 3D illustration of interconnected white spheres resembling molecular structures set against a soft, blurred backdrop. The spheres are depicted in various sizes, connected by straight rods, creating an impression of a complex network or chemical compound.
A 3D illustration of interconnected white spheres resembling molecular structures set against a soft, blurred backdrop. The spheres are depicted in various sizes, connected by straight rods, creating an impression of a complex network or chemical compound.
Physics-Aware Training

Incorporating amber energy terms and CD spectroscopy constraints into loss functions for improved model accuracy.

Validation through HDX-MS and testing allosteric switches in synthetic biology platforms for reliable results.

API Integration
Two molecular models, each consisting of one large red sphere and two smaller white spheres, are positioned facing each other on a white surface. A white plate and a paper clip are placed in the foreground.
Two molecular models, each consisting of one large red sphere and two smaller white spheres, are positioned facing each other on a white surface. A white plate and a paper clip are placed in the foreground.
A high-tech laboratory environment featuring multiple digital screens displaying complex graphical data, including a large DNA helix. The room contains advanced laboratory equipment on a sleek table and a chair draped with a white lab coat. Soft lighting and a futuristic aesthetic contribute to the overall ambiance.
A high-tech laboratory environment featuring multiple digital screens displaying complex graphical data, including a large DNA helix. The room contains advanced laboratory equipment on a sleek table and a chair draped with a white lab coat. Soft lighting and a futuristic aesthetic contribute to the overall ambiance.

Allosteric Datasets

Curating pdb datasets with cryo-em maps and structural analysis.

A close-up abstract image of a metallic molecular model with shiny spheres and rods set against a vibrant red background. The focus is soft, creating a dreamy and slightly blurred effect.
A close-up abstract image of a metallic molecular model with shiny spheres and rods set against a vibrant red background. The focus is soft, creating a dreamy and slightly blurred effect.
Dynamic GNN Models

Developing dynamic GNNs with distance-based edge weights and attention layers for high-entropy residues in protein dynamics modeling.

A 3D geometric structure consisting of interconnected spheres and rods resembles a molecular model or network. The spheres are primarily pink with hints of purple and blue, set against a black background, creating a striking contrast.
A 3D geometric structure consisting of interconnected spheres and rods resembles a molecular model or network. The spheres are primarily pink with hints of purple and blue, set against a black background, creating a striking contrast.
Validation Techniques

Verifying predicted dynamics through HDX-MS and testing allosteric switches in synthetic biology platforms for enhanced accuracy and functionality.

Dynamics

Innovative data engineering for structural biology insights.

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