CADD Consulting provides boutique computational services around scientific core competencies:

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 and Structure Prediction

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.

Large-Scale Docking

Large-Scale Docking screens between one million to multiple billion molecules in silico. Ingredients for a successful screen:

  1. Good protein structure
  2. Positive controls: ideally X-ray
  3. Library of synthesizable molecules
  4. Experience in docking analysis
  5. Hardware and software
  6. 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.