We Help Project PIs Reach Their Full Potential
Through advanced computational modeling, docking, and predictive analytics, we support research teams and principal investigators to refine workflows, enhance decision-making, accelerate discovery timelines, and fully realize each project’s potential success.
Training
Comprehensive training empowers research teams with practical skills in computational drug design, enabling efficient data handling, model interpretation, workflow optimization, and confident decision-making.
Innovative Solutions
Dockit.com delivers advanced computational tools empowering faster, smarter, and more accurate drug-design decisions
Expert Team
Our expert team delivers precise computational insights that strengthen every drug-design project.
Proven Results
Consistent performance backed by validated models and successful drug-design project outcomes.
Check Our Consulting Process
Our Proven Consulting Process
We partner with you from project inception to completion, offering guidance, expertise, and support to ensure your research achieves optimal results.
Project initiation
Collect target structures, assay data, and research objectives from clients
Strategy Development
Computational Analysis & Modeling
Perform docking, molecular dynamics, QSAR, and predictive simulations to evaluate candidate compounds
Implementation
Lead Prioritization & Insight Generation
Identify top candidates, assess binding affinity, stability, and drug-likeness, providing actionable recommendations.
Monitoring & Optimization
Strategic Guidance
Our clients have access to a dedicated portal where they can view our comments, analyses, and recommendations in real time, enabling continuous monitoring, smooth evaluation, and iterative optimization of drug-design projects for the best outcomes.
Evaluation & Reporting
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Deliver detailed reports with clear next-step strategies to accelerate drug discovery efficiently or easy publication.
Check Our Services
Data pre-processing
Protein data preprocessing involves denoising, formatting, and standardizing sequences and structures to ensure accurate, reliable input for computational drug-design analyses.
Cleaning
Formatting
Standardizing
Molecular Docking
Docking predicts how your molecules interact with target proteins, estimating binding modes, affinities, and interactions, enabling rational drug design, lead prioritization, and informed optimization of candidate compounds.
structure preparation
small molecule preparation
Hypothetical active site patch
Technical Advisory
Our technical advisory services guide clients in selecting the most effective methods for drug-design projects, evaluating both scientific efficiency and financial implications, ensuring informed decisions, optimized workflows, and cost-effective strategies that maximize research outcomes and project success
Financial Analysis
Response AI-MLModels
Risk Management and Epidemiology
Automation with Bash
Automation with Bash streamlines repetitive tasks in drug-design workflows, enabling efficient file management, batch docking, data preprocessing, result extraction, and workflow integration, saving time while ensuring reproducibility and accuracy.
Fast
Performance
Reproducibility
GPU-Enabled screening
Our GPU-enabled systems accelerate computations, delivering faster docking, simulations, and analyses, allowing clients to receive rapid results and make timely, data-driven decisions in drug-design projects.
Fast
convenient
Timely
Molecular Dynamic Simulations
We perform molecular dynamics simulations using both commercial and open-source software, enabling comprehensive analysis of protein-ligand interactions, structural stability, and conformational changes, providing reliable, high-quality insights to guide drug-design decisions and optimize candidate compounds efficiently.
Gromacs
Schrodinger
AI-ML models
50
Happy Clients
6
Complete Projects
5+
Years of Experience
6
Professional Team
Why Choose Us
We Believe we will be successful if our clients Are Sucessful
This principle reflects our commitment to client-centered success: by prioritizing their goals, providing expert guidance, and delivering measurable results in drug design, we create a partnership where our achievements are directly tied to the success of those we serve.
Expert Team
Our expert team delivers innovative, precise solutions for drug-design projects.
Reliable Support
We provide real-time, dependable support, guiding clients through every step efficiently
Quality Assurance
We ensure accuracy, reliability, and excellence in every drug-design process
Innovative Thinking
We embrace new technologies and innovative approaches, staying one step ahead in drug-design solutions
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Trusted Proven
Our Team
Tracy JB brings a unique blend of expertise, combining a strong background in software engineering with laboratory medicine, specializing in data curation and user experience design to optimize research workflows and digital solutions.
Software Engineer, Dockit Ltd
Pierre JB, as Chief Technology Officer, leads technological strategy, oversees bioinformatics software development, ensures innovative solutions, and drives implementation of advanced computational tools, supporting efficient, cutting-edge drug-design processes and optimized research outcomes.
Pierre JB
Chief Technology Officer,
Dockit Ltd
Ready to Take the Next Step?
After sequencing genes and identifying mutations, further evaluation is crucial to understand their impact on drug response. Our services guide scientists beyond sequencing, providing comprehensive analyses to determine functional consequences, enabling informed decisions and effective drug-design strategies.