One-Stop, Seamless, and AI-Driven. Creative Biostructure Drug Discovery bridges the gap between genetic sequence and therapeutic functional leads. By synchronizing AI-driven design with wet-lab experimental excellence, we transform your target insights into validated drug candidates within a single, streamlined workflow.
Leverage cutting-edge AI algorithms and deep learning models to predict complex structures and simulate molecular interactions. Our dry-lab platform provides high-precision starting points for rational drug design.
Translate computational insights into tangible chemical entities through structure-guided medicinal chemistry. We focus on optimizing potency, selectivity, and ADMET profiles to deliver high-quality preclinical candidates.
Structure-Guided Medicinal Chemistry
ADMET & PK/PD Evaluation
Validate binding modes and molecular functions with world-class structural biology facilities. Our AI-enhanced analysis provides definitive experimental evidence to de-risk your drug discovery journey.
Cryo-EM Single Particle Analysis (SPA)
AI-Assisted X-ray Crystallography
Our proprietary MagHelix™ platforms represent the pinnacle of Creative Biostructure's integration of dry-lab intelligence and wet-lab precision. These specialized engines are designed to tackle the most challenging targets in modern drug discovery, providing our partners with a decisive competitive edge.
A high-performance computing (HPC) hub integrated with proprietary AI algorithms and curated biological databases. This platform drives de novo molecule design and target fishing with unprecedented computational power.
Empowering structure-based drug design through AI-optimized structural determination. We provide atomic-resolution insights into complex protein-ligand interactions to guide rational drug discovery.
Advanced Computer-Aided Drug Design platform enhanced by machine learning. We offer high-throughput virtual screening, FEP calculations, and molecular dynamics to accurately predict binding affinities.
An AI-integrated in vivo screening platform utilizing zebrafish models for rapid toxicity and efficacy assessment. Our automated image recognition system ensures high-throughput and objective data analysis.
Specialized in fragment-based drug discovery, combining sensitive biophysical screening (NMR, SPR) with AI-guided fragment evolution to identify novel lead compounds for challenging targets.
Explore our most sought-after specialized services where advanced AI integration meets industry-leading experimental platforms. We provide high-impact solutions for the most complex challenges in modern drug discovery and structural analysis.
We leverage our integrated AI and structural biology platforms to tackle the most challenging therapeutic targets. By combining deep computational insights with precision experimental validation, we empower drug discovery across a wide spectrum of disease areas, transforming difficult-to-drug targets into promising pipelines.
We classify targets into distinct categories based on their functional properties, enabling targeted drug discovery.
Leveraging AlphaFold and MD simulations to resolve conformational dynamics and identify cryptic binding pockets in complex multi-pass transmembrane proteins.
Utilizing advanced CADD and virtual screening for structure-guided scaffold hopping, ensuring high selectivity and potency for novel kinase inhibitors.
Integrating Cryo-EM with AI-enhanced image refinement to decipher atomic resolutions, enabling rational design for challenging ion channel targets.
Employing generative AI and biophysical assays (SPR/BLI) to design and validate molecules that precisely disrupt or stabilize critical protein interfaces.
Applying predictive modeling of ternary complex formation to accelerate the discovery and optimization of next-generation targeted protein degraders.
Accelerating the development of signaling pathway inhibitors and biologics through a synergy of AI-driven design and zebrafish in vivo
Solving Blood-Brain Barrier (BBB) penetration challenges and targeting neurodegenerative pathways via sophisticated computational modeling and structural analysis.
Rapid-response platforms integrating FBDD and AI sequence profiling to identify novel viral and bacterial targets for urgent global health needs.
Utilizing AI to model cytokine signaling and immune cell interactions, providing optimized structural insights for novel anti-inflammatory and autoimmune therapies.
Tailored R&D workflows for orphan drug discovery, focusing on precise structural characterization and in silico activity restoration of mutated proteins.
Translating computational excellence into clinical breakthroughs across high-impact therapeutic pipelines.
This project focuses on elucidating the three-dimensional structure of the Fab-antigen complex using X-ray crystallography. Our work begins with Fab preparation, followed by the formation of the Fab-antigen complex and initial crystal screening.
Figure 1. Cryo-TEM data collection.
Figure 2. 2D classification.
Figure 3. 3D classification.
Figure 4. Model building and refinement.
Our X-ray Crystallography platform delivers high-resolution protein structures through a streamlined process of crystallization and diffraction analysis. By optimizing conditions to produce high-quality single crystals, we utilize synchrotron-grade X-ray sources to capture precise diffraction patterns. These data are processed into high-density electron maps, enabling the construction of accurate atomic models. This service is essential for understanding molecular interactions and accelerating structure-based drug design with definitive spatial resolution.
Figure 1. Successful growth of a high-quality protein single crystal.
Figure 2. High-resolution X-ray diffraction data collection.
Figure 3. Final atomic model resolved from electron density maps.
We deliver rigorous quality management and AI-driven structural biology solutions tailored for the global biopharma industry. Trusted by industry giants and premier research institutes, we ensure uncompromising data integrity and IP protection for every project.
Learn More About Global Standards, Scientific Precision
Years of Specialized R&D Expertise
Global Pharmaceutical Partners
Advanced MagHelix™ Technology Hubs
of High-Resolution Structural Datasets
For any inquiries, our support team is ready to help you get technical support for your integrated drug discovery projects and maximize your R&D efficiency with Creative Biostructure Drug Discovery.
