AI-Driven In-Silico Directed Evolution for Protein and Enzyme Engineering
AI-Driven In-Silico Directed Evolution
Traditional directed evolution has transformed protein engineering by enabling iterative optimization through mutation and experimental screening. However, exploring the enormous protein sequence space using laboratory methods alone is often time-consuming, resource-intensive, and limited by practical screening capacity.
Neoncorte Bio combines artificial intelligence, protein language models, and computational protein engineering to perform in-silico directed evolution, helping research teams prioritize the most promising variants before laboratory validation.
Our AI-assisted workflows accelerate Design-Build-Test-Learn (DBTL) cycles by reducing unnecessary experimental screening while improving the probability of identifying high-performing protein variants.
What Is In-Silico Directed Evolution?
In-silico directed evolution applies computational models to simulate and prioritize evolutionary pathways before experimental testing.
Instead of relying exclusively on random mutagenesis and large screening campaigns, computational prediction guides mutation selection using sequence, structural, and experimental information.
This approach helps organizations:
This approach helps organizations:
- Reduce experimental screening
- Explore larger regions of protein sequence space
- Prioritize high-value mutations
- Evaluate higher-order mutation combinations
- Accelerate protein optimization
- Reduce development time
- Improve R&D productivity
- Increase the efficiency of iterative engineering campaigns
AI Technologies Behind Our Platform
Neoncorte Bio integrates advanced computational technologies including:
- Protein language models (PLMs)
- Artificial intelligence
- Machine learning
- Structure-informed protein modeling
- Computational mutagenesis
- Virtual Deep Mutational Scanning (DMS)
- Protein fitness landscape prediction
- Epistasis prediction
- Higher-order mutation prediction
- Active learning
- Bayesian optimization
- Multi-objective optimization
In-Silico Directed Evolution Capabilities
Our computational workflows support:
-
AI-Guided Mutation PrioritizationIdentify mutations predicted to improve protein performance while balancing multiple engineering objectives. -
Computational MutagenesisPredict the effects of single mutations and higher-order mutation combinations before laboratory experiments. -
Virtual Deep Mutational ScanningExplore millions of possible sequence variants computationally to identify promising engineering opportunities. -
Protein Fitness Landscape PredictionModel sequence-function relationships to identify productive evolutionary trajectories and avoid low-fitness regions. -
Smart Library DesignGenerate focused mutation libraries that maximize useful diversity while minimizing laboratory screening. -
Epistasis PredictionPredict interactions between mutations to support more effective multi-site engineering.
Multi-Parameter Protein Optimization
Unlike conventional directed evolution focused on a single characteristic, our AI workflows support simultaneous optimization of:
- Catalytic activity
- Catalytic efficiency
- Protein stability
- Thermostability
- Melting temperature (Tm)
- Protein solubility
- Aggregation resistance
- Expression yield
- Manufacturability
- Developability
- Binding affinity
- Substrate specificity
- Cofactor specificity
- Enantioselectivity
- Regioselectivity
- pH stability
- Solvent tolerance
- Oxidative stability
- Freeze-thaw stability
Applications
Our in-silico directed evolution platform supports:
-
Industrial Enzyme Engineering
Develop more efficient enzymes for industrial biocatalysis. -
Therapeutic Protein Engineering
Optimize biologics while balancing efficacy and developability. -
Synthetic Biology
Improve enzymes and proteins for engineered metabolic pathways. -
Antibody Engineering
Support affinity maturation and candidate optimization. -
Environmental Biotechnology
Develop proteins for biodegradation, recycling, and sustainable manufacturing.
Design-Build-Test-Learn (DBTL) Collaboration
Our computational platform integrates seamlessly into iterative protein engineering.
Design
Analyze sequences, structures, and engineering objectives.
Build
Prioritize mutations and focused variant libraries.
Test
Experimentally validate selected protein variants.
Learn
Update predictive models using newly generated laboratory data.
Each DBTL cycle strengthens prediction accuracy while reducing unnecessary experimentation.
Analyze sequences, structures, and engineering objectives.
Build
Prioritize mutations and focused variant libraries.
Test
Experimentally validate selected protein variants.
Learn
Update predictive models using newly generated laboratory data.
Each DBTL cycle strengthens prediction accuracy while reducing unnecessary experimentation.
Why Choose Neoncorte Bio?
Neoncorte Bio combines expertise in:
- Artificial intelligence
- Machine learning
- Computational protein engineering
- Protein language models
- Structural biology
- Computational mutagenesis
- Virtual Deep Mutational Scanning
- Protein fitness landscape prediction
- Epistasis prediction
- Higher-order mutation prediction
- Active learning
- Bayesian optimization
- Multi-objective optimization
- Design-Build-Test-Learn (DBTL)
Who We Work With
Our platform supports:
- Biotechnology companies
- Pharmaceutical companies
- Industrial enzyme manufacturers
- Synthetic biology companies
- CROs and CDMOs
- Diagnostic developers
- Industrial biotechnology organizations
- Academic research laboratories
Frequently Asked Questions (FAQs)
Our platform harnesses advanced artificial intelligence and machine learning to design, optimize, and engineer proteins tailored to your specific requirements. Whether you need improved enzyme efficiency, novel protein functions, or tailored biotherapeutics, our solutions streamline the protein design process and reduce time-to-market.
Our services are ideal for biotechnology and pharmaceutical companies, academic research labs, industrial manufacturers, and any organization involved in protein-based product development. Applications include enzyme optimization, biocatalyst development, therapeutic protein design, and more.
The process begins with your input data, such as protein sequences, structural information, and desired functional attributes. Our AI algorithms then generate a library of potential protein variants and use predictive modeling to evaluate their stability, activity, and specificity. The top candidates are ranked and provided for further experimental validation, thereby reducing the number of required lab iterations.
Our platform is versatile and can be applied to a wide range of proteins, including enzymes, structural proteins, and therapeutic proteins. We can optimize existing proteins or design novel ones for applications in catalysis, biopharmaceuticals, diagnostics, and more.
Absolutely. We work closely with you to tailor our AI models and algorithms to your target proteins and desired outcomes. This includes integrating proprietary data and fine-tuning parameters to ensure that our platform delivers the most relevant and high-performing protein candidates for your application.
Our platform offers robust API support and standard data export formats (e.g., CSV, JSON) to seamlessly integrate with your Laboratory Information Management Systems (LIMS) and other data analytics pipelines. We also provide comprehensive onboarding and training to ensure a smooth adoption process.
Our models are trained on extensive datasets of protein interactions, structural data, and experimental results. We continuously refine our algorithms with real-world feedback to improve prediction accuracy. While our computational predictions are highly reliable, we recommend subsequent in vitro or in vivo validation to confirm the performance of the engineered proteins.
Yes, we provide collaborative support throughout the validation process. Our team can help design proof-of-concept studies and coordinate with your wet lab partners to verify the performance of our predicted protein variants.
We offer flexible pricing models based on the scope and duration of your project. Options include subscription-based plans for ongoing R&D, as well as project-specific pricing for one-off protein engineering campaigns. Please contact us for a personalized consultation and detailed quote.
Our dedicated customer support team is available to assist you at every stage—from initial onboarding and technical training to troubleshooting and ongoing optimization. We offer support via email, phone, and live chat, along with detailed documentation and a comprehensive FAQ section.
Accelerate Directed Evolution with AI
Contact Neoncorte Bio to discuss your in-silico directed evolution project
Neoncorte Bio
Where AI Meets Biotechnology
Neoncorte Bio is at the forefront of the convergence between artificial intelligence and enzyme engineering. Our team comprises experts in computational biology, bioinformatics, and machine learning, all driven by a mission to accelerate innovation in enzyme design. By leveraging our advanced AI models, we provide unparalleled solutions that enhance efficiency, reduce costs, and push the boundaries of what's possible in enzyme engineering
Proud Member of Leading Global AI Programs
Neoncorte Bio is part of the NVIDIA Inception and Nebius for Startups programs — two of the world’s leading ecosystems for high-performance AI innovation. These partnerships strengthen our ability to deliver next-generation AI-driven protein, enzyme, and aptamer engineering.
-
As a member of NVIDIA Inception, Neoncorte Bio gains access to cutting-edge GPU technologies, expert guidance, and a global AI ecosystem that supports companies from prototype to production. The program empowers us to explore new AI opportunities and build high-performance biological design pipelines powered by NVIDIA’s world-class platform. -
Through Nebius for Startups, we gain access to high-performance compute infrastructure optimized for large-scale AI workloads, along with hands-on technical guidance and a strong community of innovative AI companies. Nebius enables us to train and deploy complex biological models more efficiently — accelerating enzyme, protein, and aptamer design while supporting rapid scaling of our R&D pipelines.
Publications
Scientific Publication of Neoncorte Bio Team
- Modification of natural enzymes to introduce new properties and enhance existing ones is a central challenge in bioengineering. This study is focused on the development of Taq polymerase mutants that show enhanced reverse transcriptase (RTase) activity while retaining other desirable properties such as fidelity, 5′-3′ exonuclease activity, effective deoxyuracil incorporation, and tolerance to locked nucleic acid (LNA)-containing substrates.
- The transcriptomic data are being frequently used in the research of biomarker genes of different diseases and biological states. The most common tasks there are the data harmonization and treatment outcome prediction. Both of them can be addressed via the style transfer approach. Either technical factors or any biological details about the samples which we would like to control (gender, biological state, treatment, etc.) can be used as style components.
- List of all Neoncorte Bio publications dedicated to Molecular Biology, Biotechnology, Artificial Intelligence and Artificial Neural Networks, published mostly by Nikolay Russkikh, CEO of Neoncorte Bio
Our Expertise in Action
With extensive experience in AI applications and software engineering tailored to the life sciences, we specialize in solving complex challenges and delivering innovative solutions for our customers. Our work demonstrates a deep understanding of cutting-edge technologies and their application in the real world.
Here are examples of the types of projects we have successfully delivered:
Here are examples of the types of projects we have successfully delivered:
- Automated NGS Data Analysis:Designed a production-grade solution for the automated processing, annotation, and analysis of Next-Generation Sequencing (NGS) data.
- Single-Cell Data Integration:Built state-of-the-art tools for integrating multimodal single-cell data, achieving recognition for technical excellence.
- Metagenomic Classification Algorithms:Developed advanced methods for classifying sequencing reads in metagenomics research.
- High-Throughput Image Processing Pipelines:Engineered an efficient pipeline to process millions of sequencing images with exceptional accuracy.
- Cell Counting via AI:Created a computer vision solution for precise cell counting in microphotography images, streamlining data analysis.
Get in touch with our team
Phone: +1-503-754-3958
Email: contact@neoncorte.com
Email: contact@neoncorte.com
© All Rights Reserved. Neoncorte Bio. 2024-2026
contact@neoncorte.com
contact@neoncorte.com