The C-S-D Starter Pack is designed to make setting up Chemical Space Docking™ (C-S-D) with SeeSAR 14 quick and straightforward, our innovative new tool that allows the exploration of ultra-vast Chemical Spaces, leveraging 3D structure-based docking to identify novel drug candidates with enhanced efficiency.
Here’s what the Starter Package offers:
- Guides for Seamless Setup: The pack includes a SeeSAR 14 Beginner’s Guide to help you get started with the basics, as well as an HPSee Deployment Guide for setting up C-S-D efficiently on high-performance hardware. These resources make it easy for both new and experienced users to begin exploring C-S-D’s capabilities right away.
- The ROCK1 Test Space: This curated test space lets users experience C-S-D firsthand, using a known target in the field of drug discovery—ROCK1 kinase. ROCK1 (Rho-associated kinase 1) is a protein linked to various cellular processes, and C-S-D enables researchers to quickly screen and analyze how different compounds might interact with this target. Using this space, researchers gain insights into potential new drug interactions and can practice using C-S-D in a real-world setting.
Here’s a consolidated guide to getting started:
- Download and Install SeeSAR 14 – Start by downloading SeeSAR 14, the main interface for C-S-D, and install it on your workstation. Download here
- Download and Set Up HPSee 2.0 – Next, download HPSee 2.0 and install it on a dedicated high-performance machine to handle the complex docking calculations. Download here
- Get the C-S-D Starter Package – The package includes the ROCK-1 Test Space and setup guides to help you test and fine-tune your docking workflows. Download here
- Follow the HPSee Deployment Guide – Use this guide to ensure HPSee is properly configured, ready to support large-scale screenings with ease.
- Refer to the SeeSAR Beginner Guide – This guide introduces the basics of SeeSAR, helping you get comfortable with the platform’s interface and docking capabilities.
- Watch the Tutorial Video – Need more support? The SeeSAR 14 Tutorial Video offers a helpful walkthrough to make sure you’re set up and ready to go.
Get started and explore the power of C-S-D and SeeSAR 14’s innovative docking abilities right away!