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Sponsored AI Networking Cookbook: Practical recipes for AI-assisted network automation and development AI Networking Cookbook: Practical recipes for AI-assisted network automation and development

Author

Keisuke Yanagisawa

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Open access Aug 2026

Probe-Atom Distributions Obtained from Mixed-Solvent Molecular Dynamics Improve the Scoring of Docking Calculations

This study performed mixed-solvent molecular dynamics simulations using four types of probe molecules to improve the accuracy of large-scale VS and proposed a method for the modification of the docking scoring function for five selected atom classifications (XS_types).

Kaho Akaki, Keisuke Yanagisawa, Yutaka Akiyama · 0 citations

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