Aganitha’s EAGLE™ for Environment-Aware Cyclic Peptide Conformation
Capturing complex macrocyclic structures with extreme precision and speed across diverse environments Cyclic peptides are rapidly emerging as a powerful therapeutic modality […]
AI-driven interpretability enables permeability-aware peptide design at scale
Cyclic Peptide Permeability Modeling Cyclic peptides have emerged as a promising therapeutic modality capable of targeting challenging intracellular proteins and protein–protein interactions […]
Aganitha’s EAGLE™ Pipeline Accelerates High-Throughput In Silico Formulations
Solving Cyclic Peptide Solubility Cyclic peptides are rapidly emerging as a transformative therapeutic modality, offering the unique ability to target challenging protein […]
Beyond the Hype: How AI and Computational Chemistry Are Reshaping Formulation and Manufacturing
Where We Fit: Deep Science Meets Deep Tech Our approach starts with a simple observation about the last twenty-five years of drug […]
SitepKa: AI-Driven Site-Specific pKa Prediction Across Multiple Solvents
Predicting Molecular Behaviour Across Chemical Environments Understanding how molecules gain or lose protons in different chemical environments is fundamental to designing better […]
EAGLE™: A Scalable, Environment-Aware Generation of conformer ensembLE for Drug Discovery and Development
Introducing EAGLETM Conformer generation is a foundational step in modern computational chemistry and drug discovery workflows. Molecular conformation directly influences Reliable conformer […]
HAddiT: Accurate Hydrogen Addition, Reliable Simulations
1. Introducing HAddiT Computational chemistry and molecular modeling using physics-based simulations have become indispensable for elucidating and predicting chemical and biological phenomena. […]
Architecting Continuous Scientific Discovery: The DISTILL Platform for Integrated Multi-Omics Research
In the first part of this series, we examined why modern biological research cannot rely on one-pass analysis. Single-cell, spatial, and multi-omics […]
Iterative Insight in Single-Cell and Spatial Transcriptomics: Why First-Pass Analysis Falls Short
From Data to Decisions: Why Modern Biology Depends on Iteration Single-cell, spatial, and multi-omics datasets rarely yield clear answers in a single […]
Beyond the Pilot: Scaling Institutional Intelligence in CDMO Operations with Agentic AI
At Aganitha, we recognize that CDMOs are currently operating at a high-pressure intersection: molecular complexity is rising, timelines are compressing, and regulatory […]
Agentic AI in Biopharma R&D: Lessons from Embedding Agents Inside Live Programs
Agentic AI Is Not a Tooling Upgrade — It’s an Operating Model Shift The real promise of Agentic AI lies in its […]
Unearthing the Gold Dust of Mechanistic Insight in Drug Discovery, with Deep Science & Deep Tech
We’re pleased to share our study, “Selective Activation of GPCRs: Molecular Dynamics Shows Siponimod Binds but Fails to Activate S1PR2, Unlike S1PR1,” […]