At SmallMoles, we combine computational chemistry, artificial intelligence, machine learning, and pharmacogenomics to accelerate small molecule research and development. Our services are designed for researchers, universities, biotech companies, pharmaceutical organizations, and healthcare innovators seeking reliable computational support.
Mobile/ WhatsApp No: 9236817425
E-Mail ID: RnDservices@cbbe.biz
Predict ligand–protein interactions with high accuracy using industry-standard computational tools.
Services Include:
Protein preparation
Ligand preparation
Molecular docking
Binding affinity analysis
Interaction visualization
Publication-ready reports
Study molecular stability and dynamic behavior under physiological conditions.
Available Packages
50 ns MD Simulation
100 ns MD Simulation
Custom simulation duration
Deliverables
RMSD
RMSF
Radius of Gyration
Hydrogen Bond Analysis
PCA
MM/PBSA (Optional)
Develop predictive models for biological activity using modern machine learning algorithms.
Features
Multiple ML algorithms
Descriptor generation
Feature selection
Model validation
Activity prediction
Publication-quality figures
Evaluate potential drug candidates through theoretical bioassays before laboratory experimentation.
Applications include:
Drug screening
Lead optimization
Toxicity prediction
ADMET analysis
Biological activity estimation
Design novel therapeutic molecules using computational intelligence and medicinal chemistry principles.
Services include:
Lead generation
Scaffold modification
Analog design
Virtual screening
Drug-likeness evaluation
Support precision medicine research through computational pharmacogenomics.
Our expertise covers:
Gene–drug interaction analysis
Variant interpretation
Personalized therapeutic assessment
Biomarker research
Build computational models for biological systems to understand disease mechanisms and therapeutic responses.
Suitable for:
Academic research
Pharmaceutical studies
Systems biology projects
Need something beyond standard workflows?
We offer customized computational research services tailored to your scientific objectives, including:
Research collaborations
Data analysis
Workflow development
Software-assisted research
Scientific consulting
Professional guidance for:
Research project planning
Computational experiment design
Drug discovery strategy
Data interpretation
Manuscript preparation
Thesis support
Enhance your computational biology skills through expert-led programs.
Available formats:
Online Live Training
Offline Workshops
Certification Programs
Institutional Training
Corporate Training
Topics include:
Molecular Docking
Molecular Dynamics
QSAR
AI in Drug Discovery
Pharmacogenomics
Computational Drug Design