Evaluating protein-protein interactions in AF3 predicted complexes: a PD-1 case study
ScienceBlog Elisa Martino ScienceBlog Elisa Martino

Evaluating protein-protein interactions in AF3 predicted complexes: a PD-1 case study

Can protein-protein complex models generated by AF3 effectively serve as starting points for predicting protein-protein interactions and identifying binding hotspots, thus facilitating drug design?

Using our software, 3decision®, we evaluated the accuracy of the AF3 models using Programmed cell death protein 1 (PD-1) complexes as a case study.

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Discngine Labs: The future of Cryo-EM in Pharma
Webinar Marija Martini Webinar Marija Martini

Discngine Labs: The future of Cryo-EM in Pharma

Where are we with Cryo-EM in Pharma?
Read the key takeaway messages from the Discngine Labs roundtable discussion with the domain experts from ThermoFisher Scientific, Sanofi, Boehringer Ingelheim and Nanoimaging Services, hosted by Gabriella Jonasson, PhD.

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Discngine partners up with ChemAxon to enhance its 3decision® platform for innovative structure-driven drug discovery
Press Release Marija Martini Press Release Marija Martini

Discngine partners up with ChemAxon to enhance its 3decision® platform for innovative structure-driven drug discovery

Integrating several of ChemAxon’s cheminformatics and biologics software components into 3decision will expand its capabilities to work on larger biological entities, in addition to the already available features for proteins and small molecules. The registration and visualization of biological entries, like antibodies or peptides, efficient data mining, and advanced analytical capabilities will be accessible.

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Structure-based compound design for dihydroorotate dehydrogenase - how to leverage protein-ligand interaction patterns for scaffold hopping idea generation
ScienceBlog Marija Martini ScienceBlog Marija Martini

Structure-based compound design for dihydroorotate dehydrogenase - how to leverage protein-ligand interaction patterns for scaffold hopping idea generation

Through this usecase you will get to know how to find novel chemical entities in early drug discovery using 3decision protein-ligand interaction-based search. As an example, we performed a scaffold optimization of an active compound co-crystallized with the malaria target DHODH.

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