CADD Consulting provides boutique computational services around scientific core competencies:
- Structure Analysis
- Computer-Aided Drug Design
- AI-Based Structure Prediction
- Molecular Dynamics & Protein Design
- Large-Scale Docking
- Cheminformatics Services
- Databases and Data Science
- Competitor Information
In computer-aided drug design (CADD) the sky is the limit. Due to the complexity of the work, the time necessary to master the software needed, and the lack of experienced, highly skilled talent, only a handful of experts worldwide can offer this service. CADD Consulting is such an expert and will support you in your rapid drug development efforts for various diseases.
Structure Analysis
To design the best molecule it is necessary for your team to know the structure in detail. CADD Consulting analyzes and predicts your structures.
Everybody on your team will get on the same page using CADD Consulting’s visualisation of structures. A picture is worth a thousand words: While discussing the impressive 3D structures created by CADD Consulting’s expert modeler, you will gain invaluable insights and get ahead of the curve.
Computer-Aided Drug Design
You need to move fast when developing effective new drugs. To accelerate your research and discovery, computer-aided drug design let’s you gain momentum quickly: CADD Consulting will see you through the many scientific challenges along the way. We offer you expert knowledge including the use of state-of-the-art software in combination with our unique chemical and biological expertise.
AI-Based Structure Prediction
Deep learning methods such as AlphaFold3 and its open-source alternatives have transformed how we predict protein structures and protein-ligand interactions. CADD Consulting leverages these AI-based cofolding and structure prediction tools — alongside protein language models for antibody design — to complement classical modeling approaches. We help you assess when AI predictions are reliable, where they fall short, and how to integrate them into your drug design workflow.
Molecular Dynamics & Protein Design
Understanding a protein’s static structure is only half the story. CADD Consulting runs GPU-accelerated molecular dynamics simulations to reveal how proteins move and adapt — characterizing binding site flexibility, conformational ensembles, and the stability of protein–ligand and antibody–antigen complexes.
We also combine physics-based methods with AI-driven generative approaches to engineer proteins, peptides, and antibodies with improved properties — and validate the results computationally before you commit to the bench.
Large-Scale Docking
Large-Scale Docking screens between one million to multiple billion molecules in silico. Ingredients for a successful screen:
- Good protein structure
- Positive controls: ideally X-ray
- Library of synthesizable molecules
- Experience in docking analysis
- Hardware and software
- Assays to test binding or inhibition
We are experts and excited to run large-scale docking screens on your target.
Cheminformatics Services
Chemical data is very complex. CADD Consulting helps you to navigate the chemical space. CADD Consulting has the power to screen millions of molecules of interest from said space. CADD experts calculate the molecular properties to describe and filter the molecules, collaborating with you in prioritizations. In addition, enumeration of new molecules based on known chemical reactions are a core service offered by CADD Consulting.
Databases and Data Science
Chemical and biological data from your experiments and third-party collaborators is your most valuable asset. Putting that data to work requires a rigoros data management. CADD Consulting knows how to set up industry-standard databases such as CDD Vault. We help you create your own workflows and implement dashboards, create data aggregation queries, analyze and visualize the data to perform data science tasks. We are highly flexible with our tech stack spanning from SQL, Python, APIs and industry-standard software applications.
Competitor Information
Set yourself up for success in knowing what your competitors know and use. This information is usually scattered all over the place. CADD Consulting works with providers who aggregate your competitors information. We then preprocess it and prepare a customized report for you. This may include a tedious, time-consuming patent search. We are well equipped to conduct such in-depth analysis of patents and related processes.