Virtual Engines

Accurate Vitual Engines and Effective Ranking Systems (AVENGERS)



AVENGERS Accelerates Drug Discovery with Accuracy and Efficiency!

Generative Molecular Design

Scoring-Assisted Generative Exploration (SAGE)



Hocheol Lim, Journal of Cheminformatics 16.1 (2024): 59.

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    • Combination of SAGE with Drug-Induced Gene Expression Ranking Analysis (DIGERA)


    Hocheol Lim et al. International Journal of Molecular Sciences 26.1 (2024): 224.

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    • Extension of SAGE for Ionic Liquid (SAGE-IL)


    Hocheol Lim, Materials Today Advances 24 (2024): 100529.

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    • Hotspot Analysis

    Quantum Mechanical System Analysis (3D-SPIEs)

    Hocheol Lim et al. Scientific reports 9.1 (2019): 1-11.

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    • 3D-SPIEs Integrates Hotspot Information from Macromolecules and Ligands!


    Hocheol Lim et al. Scientific reports 10.1 (2020): 1-8.

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    • Affinity Prediction

    Quantum Mechanical Scoring Functions (FMO-TIE)

    Hocheol Lim et al. CSBJ 17 (2019): 1217-1225.

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    • FMO-TIE Outperforms Molecular Mechanical Scoring Functions


    Hocheol Lim et al. IJMS 23.8 (2022): 4438.

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    • "Fast is fine but Accuracy is everything"