About Myself

It doesn't matter how slowly I go as long as I don't stop.

New era for quantitative drug discovery and protein design has arrived through Quantum Mehcanics and Machine Learning. I will take the lead and expand the possibilities of quantitative computer-aided drug discovery and protein design through quantum mechanics and machine learning.

The future is here!
It's just not widely distributed yet.

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  • Eng.D

    Bioinformatics

    17

    Total Publications

    53

    Total Awards

    Tools Expertness

    Computer-Aided Drug/Protein Design 90%

    Machine Learning and Deep Learning 85%

    Quantum Mechanics and Molecular Mechanics 90%

    Python/Java 80%

    Quantum Computing 65%

    Publications

    Great works are performed not by strengh but persistence.


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  • Drug Discovery and Protein Design



    Quantum Mechanics and Machine Learning

    Professional Skills

    Persistence is the key to solve most mysteries.

    Accurate Vitual Engines and Effective Ranking Systems (AVENGERS)





    Virtual Screening is to reduce large virtual compound libraries to a manageable subset in order to design or develop small molecules with properties valuable for scientific, industrial, or medical applications.

    Quantum Mechanics based molecular orbital calculation methods provide an accurate description of molecular phenomena. Scoring functions with quantum mechanics can speed up drug discovery process by quantifying protein-ligand interactions and selecting new compounds to screen.


    Fast is fine,
    but accuracy is everything.


  • Drug Discovery
  • Computer-Aided Rational Protein Engineering Toolkit (CARPET)




    Protein Engineering is a progressive process to design or develop proteins with properties valuable for scientific, industrial, or medical applications.

    Machine Learning can utilize the information of unimproved sequences to differentiate protein properties. Prediction models with machine learning can speed up the evolution and optimization of protein properties by evaluating and selecting new variants to screen.


    Many will start fast,
    few will finish strong.


  • Protein Design

  • services

    I'll lay the CARPET for you to reach your goals with my AVENGERS.


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  • Virtual Screening

    Drug Design

    It provides a set of compounds by analyzing and selecting potential hit molecules from large databases or even scratch.

    Lead Optimization

    Drug Design

    It optimizes molecules from the first hits with/without structural similarity by quantitatively analyzing structure-activity relationship.

    ADME-T Prediction

    Drug Design

    It predicts ADME-T characteristics of small molecules and suggests new derivatives with better ADME-T profiles than original.

    Virtual Screening

    Protein Design

    It provides a set of variants for optimizing enzymatic activity, binding affinity, selectivity, protein expression, thermal stability, proteolytic stability, aggregation, and so on.

    Protein Optimization

    Protein Design

    It optimizes proteins for better activity and thermal stability by quantitative structure-activity relationship and machine learning.

    Property Prediction

    Protein Design

    It predicts many properties of the target proteins such as proteolytic cleavage site, immunogenic site, aggregation site, nonspecficity of single-chain fragment variables, isoelectric points, and so on.