Illustration of the four levels of protein structure, including primary, secondary, tertiary, and quaternary structure

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A 3D rendering showing a drug molecule bound to a protein, with the protein depicted as a cartoon model and the drug as a ball-and-stick model

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A flowchart illustrating the overall approach to computational protein structure prediction, starting with a protein sequence and progressing through multiple sequence alignment, database searching, secondary structure prediction, protein threading, homology modeling, and  Ab initio modeling to generate a 3D protein model, with steps varying based on the presence of homologs in the PDB and prediction results.

binding

The cryo-EM structure of a protein is depicted in ribbon and surface representations, with different colors highlighting individual domains within the structures.

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A cartoon representation of a protein binding to a small molecule at the protein’s binding site 

An image of protein crystals used for X-ray crystallography

A cartoon representation of a zinc finger motif of proteins

How do scientists utilize protein structural information to create therapeutic agents efficiently?

Structure-based drug design

Tools & Techniques

Alex Snyder, MD

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Multicolor ribbon models of proteins on a black background

Thermo Fisher Scientific

Artificial intelligence is helping researchers fill in critical gaps in medical treatment by identifying new drug targets for more precision medicine solutions.

AI&rsquo;s role in shaping future therapeutics

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An illustration showing colorful protein structures on a dark blue background. 

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A photo of Demis Hassabis wearing a red sweater on a white background

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A photo of John Jumper outdoors wearing a gray striped T-shirt.

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Demis Hassabis and John Jumper received the Albert Lasker Basic Medical Research Award for developing technology that predicts the 3D structures of proteins.

AlphaFold developers honored with the 2023 Lasker Award

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November 2024

A silhouette of a man gazing at the Milky Way, symbolizing spatial biology where scientists explore the spatial arrangement of cells

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10x Genomics

Spatial biology adds a new layer of knowledge to unsolved biological questions.

Journeying through cells&#39; spatial dimensions&nbsp;

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A conceptual illustration of a drug capsule filled with microchips, representing the integration of artificial intelligence in drug discovery and development

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MilliporeSigma

Learn practical strategies for using artificial intelligence to find the best drug candidate.

A Technology Guide for AI-Enabled Drug Discovery

Technology Guides

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Advanced LIMS software helps researchers reliably manage complex bioanalytical workflows and data.&nbsp;

drug design

Structure-based drug design

AI’s role in shaping future therapeutics

AlphaFold developers honored with the 2023 Lasker Award

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Journeying through cells' spatial dimensions

A Technology Guide for AI-Enabled Drug Discovery

Achieving bioanalytical precision and control

November 2024