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Updated: Mar 24, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Published on: June 20, 2025
[Structural Study in the Platform for Drug Discovery, Informatics, and Structural Life Science]
1Structural Biology Research Center, Institute of Materials Structure Science, High Energy Accelerator Research Organization.
The Platform for Drug Discovery, Informatics, and Structural Life Science (PDIS) offers comprehensive structural biology support. It provides advanced techniques and resources, accelerating research for scientists, especially those new to the field.
Area of Science:
- Structural Biology
- Biophysics
- Drug Discovery
Background:
- The Platform for Drug Discovery, Informatics, and Structural Life Science (PDIS) was established in FY2012 as a national initiative.
- It aims to assist life science researchers lacking expertise in structural biology.
Purpose of the Study:
- To provide comprehensive, full-scale support for structural biology research.
- To facilitate access to advanced structural biology techniques and resources for a wider research community.
Main Methods:
- PDIS offers services including protein purification, crystallization, structure determination (X-ray crystallography, SAXS, NMR, electron microscopy), and bioinformatics.
- Users submit applications to a one-stop service office, with proposals reviewed by referees.
- Researchers are encouraged to discuss projects with PDIS staff prior to application submission.
Main Results:
- PDIS has developed and implemented advanced synchrotron beamlines for micro-crystallography, high-throughput data collection, supramolecular assembly, and native single anomalous dispersion (SAD) phasing.
- Development of specialized beamlines for small-angle X-ray scattering (SAXS) has significantly increased user engagement in bio-SAXS.
Conclusions:
- The PDIS project successfully accelerates structural biology research by providing integrated support and cutting-edge infrastructure.
- The platform's resources and collaborative approach empower researchers, particularly beginners, to advance their structural biology projects.
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