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Home > Software Modules > Antibody Structure Based Drug Discovery

  • Atom-Based Binding Site Clustering
  • Antibody Structure Based Drug Discovery
  • Antibody Complementarity Determining Regions
  • Antibody-Antigen Interactions
  • LIGEX: Rapid Searching of Small Molecules
  • WaterView
  • Residue Flexibility Tool
  • WaterRank

Antibody Structure Based Drug Discovery

We have extended our structure based drug discovery system, Proasis, to facilitate the discovery of synthetic, designed antibodies or New Biological Entities (NBEs)

Structure based drug discovery (SBDD) has traditionally focussed on small molecules binding to protein active sites. More recently, focus has shifted away from small molecules to antibodies –  the basis of the human immune response.

Proasis now has antibody analysis capabilities beyond those currently available in standard bioinformatics tools that focus on sequence data.   You can routinely visualise, superimpose and analyse sets of 3D structures that have highly variable sequences, and are highly variable structurally.

This enables your research groups currently working with protein-ligand complexes, to apply their skills to protein-antibody complexes using DesertSci’s system of SBDD for antibodies, without a large learning overhead.

These new technologies also facilitate the exploration of protein-protein interfaces, enabling the discovery of small molecule drug candidates that may disrupt the formation of protein-protein complexes.  As well as allowing you to search non-covalent interactions between Target proteins and antibody domains, facilitating the design of NBEs.

To find out more about our developments in Antibody Structure Based Drug Discovery please contact us.

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News & Events

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19 Mar 2025

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22 Sep 2023

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