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, symbolic of structure-based protein design.

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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.

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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

Learn how <strong id="isPasted">structure-based drug design</strong> uses a protein&#39;s 3D structure to create precisely targeted medicines. Explore the key techniques, from X-ray crystallography to AI-powered modeling.

The power of structure-based drug design

Articles

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December 2025

Bands of diffused color illustrating pigment separation.

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Shimadzu Corporation

Discover how supercritical fluids expand chromatographic capabilities across diverse analytical challenges.

Rethinking separation science with supercritical fluids

Infographics

A 3D molecular visualization of antibody-like protein structures with attached yellow payloads floating against a dark, space-like background.

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 WuXi XDC

Evolving approaches to conjugation chemistry and linker&ndash;payload design are helping address persistent challenges in bioconjugate development.

Advancing bioconjugate development through innovative approaches

Whitepaper

Fluorescent-style illustration of spherical embryonic stem cells clustered together against a dark background.

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Lonza

Explore how emerging <em>in vitro</em> systems &mdash; built from primary cells, cocultures, and vascularized tissues &mdash; are improving translational research outcomes.&nbsp;

X-ray crystallography

The power of structure-based drug design

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December 2025