Innoplexus: Driving Innovation in Drug Discovery with NVIDIA BioNeMo Framework

At Innoplexus - a Partex Company , we are transforming the landscape of drug discovery and protein-protein interaction (PPI) research by leveraging NVIDIA’s cutting-edge BioNeMo framework. Powered by AI-driven solutions and high-performance computing, our collaboration with 英伟达 has redefined efficiency, precision, and speed in drug development workflows.

Here’s how we’re harnessing the power of BioNeMo to revolutionize healthcare:

?? Key Highlights of Our BioNeMo Integration

?? Virtual Drug Screening with NVIDIA BioNeMo Blueprint

• AlphaFold2 / OpenFold: Predicting high-accuracy protein structures, critical for understanding biological mechanisms.
• MolMIM: Generating optimized molecular structures with drug-like properties, accelerating lead optimization.
• DiffDock: Accelerating molecular docking, enabling the identification of optimal binding sites on target proteins at unparalleled speed.

?? Protein-Protein Interaction (PPI) Research with NVIDIA EquiDock

• Conducted large-scale, SE(3)-equivariant docking of over 20,000 protein pairs, producing more than 200 million protein-protein complexes.
• Achieved a speedup of 80–500x over traditional methods, revolutionizing PPI analysis.
• Enabled the rapid identification of novel therapeutic targets, empowering groundbreaking treatments.

?? Advancing Antibody Development with ESM Models

• ESM2: Predicts 3D structures of antibody SCFVs from amino acid sequences, enhancing understanding of antibody-antigen interactions and accelerating antibody development.
• ESM-1v: Scores mutations and predicts their effects on protein activity, enabling zero-shot mutation impact prediction to improve drug design precision.

?? The Impact of BioNeMo on Drug Discovery

?? Why Protein-Protein Interactions (PPIs) Matter

PPIs regulate essential molecular processes like:

• Cell Signaling
• Metabolism
• Gene Expression
• Cellular Structure Maintenance

Their significance extends to medical and biotechnology applications, driving innovations in:

• Drug development
• Therapeutic design
• Protein engineering
• Diagnostics

Our Achievements So Far

• Faster Drug Discovery: Screening millions of compounds in days rather than months.
• Precision Targeting: Prioritizing high-potential candidates using robust ADMET profiling.
• Scalable Innovation: Seamlessly handling massive computational workloads with NVIDIA H100 GPUs.

?? The Future of AI in Drug Discovery

By integrating NVIDIA BioNeMo Blueprint with Innoplexus’ expertise, we are bridging the gap between AI and real-world healthcare challenges. Researchers can now explore vast chemical and interaction spaces, accelerating the journey from data to discovery.

At Innoplexus, our mission is clear:

• Drive impactful breakthroughs in drug development.
• Redefine disease understanding through AI-powered innovation.
• Bring hope to patients worldwide.

Join us as we shape the future of healthcare and medicine.

?? About Innoplexus

Innoplexus is committed to leveraging advanced AI tools and high-performance computing to solve healthcare’s toughest challenges. Together with NVIDIA, we are proud to push the boundaries of science and technology for a better tomorrow.

Let’s redefine innovation in drug discovery—one breakthrough at a time!