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[Script] Discovery Studio script to export GOLD docking poses to PDB files
PURPOSE: This script is used to convert output poses generated by GOLD docking to individual PDB files each containing one protein-ligand complex. If flexible receptor atoms are incorporated in the docking these will be saved in the individual PDBs. The output pdb files are written to the directory specified in the $JobDir parameter below.INSTALLATION: Unzip and save ConvertGOLDdockingPoses2PDB.pl
BIOVIA DRUG DISCOVERY & DEVELOPMENT
![[Script] Discovery Studio script to export GOLD docking poses to PDB files](https://www.3ds.com/assets/invest/3dswym/rySIFS5kQoet90-18RQg6g.png)
BIOVIA announces the release of BIOVIA COSMOconf 2026
BIOVIA COSMOconf 2026 was released in November 2025 and is available for download at https://software.3ds.com under BIOVIA products:Product line: Lab, Scientific and Content SolutionsRelease: 2026Level: BIOVIA 2026 GoldenFixes for this level: N/AThe following Technical Note informs you about BIOVIA COSMOconf 2026 including the release's supported operating systems, enhancements and fixed defects.h
BIOVIA MATERIALS STUDIO
BIOVIA announces the release of BIOVIA COSMObase 2026
BIOVIA COSMObase 2026 was released in November 2025 and is available for download at https://software.3ds.com under BIOVIA products:Product line: Lab, Scientific and Content SolutionsRelease: 2026Level: BIOVIA 2026 GoldenFixes for this level: N/AThe following Technical Notes informs you about BIOVIA COSMObase 2026 including the release's supported operating systems, enhancements and fixed defects.
BIOVIA MATERIALS STUDIO
BIOVIA announces the release of BIOVIA COSMOquick 2026
BIOVIA COSMOquick 2026 was released in November 2025 and is available for download at https://software.3ds.com under BIOVIA products:Product line: Lab, Scientific and Content SolutionsRelease: 2026Level: BIOVIA 2026 GoldenFixes for this level: N/AThe following Technical Note informs you about BIOVIA COSMOquick 2026 including the release's supported operating systems, enhancements and fixed defects
BIOVIA MATERIALS STUDIO
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Faster Onboarding with AI Assistants
Discover how integrating large language models enhances onboarding and boosts productivity by offering expert, on-demand assistance for designing and running protocols.
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AI Voice Control in the Lab
BIOVIA and ASCENSCIA partner to provide voice-assisted laboratory experiences.
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NMR Crystallography – Solving Organic and Inorganic Structures
NMR crystallography excels in detailing short-range structures in materials using advanced spectrometers and computational tools, with applications in fields like fuel cells and pharmaceuticals, and continues to grow through integrated experimental and computational techniques.
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Preview: BIOVIA Live 2024 Americas
Unleash the Power of Innovation at BIOVIA Live 2024 in Waltham, happening May 21-23 2024.
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Empowering Drug Discovery with Machine Learning Workbench
Machine Learning Workbench is a cutting-edge, no-code application designed for data scientists and computational scientists working in the life sciences field. It offers a streamlined, intuitive solution for creating ML models and training pipelines on the 3DEXPERIENCE platform.
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Learning To Be Narrow
Leveraging BIOVIA for efficient QSAR modeling, showcasing narrow AI’s continued relevance in chemistry amidst general-purpose AI advancements.
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What Goes on Inside a Hydrogen Fuel Cell?
Enhancing Fuel Cell Efficiency and Durability with BIOVIA Molecular Dynamics Simulations.
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Unlocking the Power of Protein Folding with OpenFold and AlphaFold2 in the Cloud
Unlock the potential of protein structure prediction with AlphaFold & OpenFold in drug discovery. Accelerating research with BIOVIA’s cloud-based solutions.
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COSMO-RS for Modern Rational Drug Design and the SAMPL Challenge
SAMPL: Boosting Drug Design with Blind Computational Challenges
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Leveraging BIOVIA Pipeline Pilot for Biopharma Research
Explore the evolution of data science applications in pharmaceutical research, highlighting how both open-source and commercial tools are reshaping the future of personalized medicine and streamlined drug development processes.
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Elevating Excellence in Drug Discovery: Combining AI/ML Models with Physics-Based Simulation Methods in Discovery Studio Simulation
Technology constantly evolves, but when and how does a new technology displace and replace an established one?
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