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CombiRIDGE - Neural Network-Powered GPU Docking for Ultra-Large Library Virtual Screening

MolSoft Molecules in Silico via YouTube

Overview

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Explore an innovative neural network-powered GPU docking method designed for ultra-large library virtual screening in this comprehensive webinar. Learn about the technical specifications and system requirements needed to implement this cutting-edge screening technology. Discover the available ultra-large chemical libraries that can be processed using this method, and understand how RIDGE, marketed as the fastest 3D docking solution available, enhances screening capabilities. Examine GINGER, the neural network conformer generator that powers the system's molecular modeling capabilities. Follow along with a practical demonstration showing how to operate the software within the ICM environment, providing hands-on insights into implementing this advanced virtual screening workflow for drug discovery and molecular research applications.

Syllabus

02:00 About CombiRIDGE
09:30 Minimum Specifications
12:30 Available Ultra Large Libraries for Screening
17:00 About RIDGE - fastest 3D docking on the market.
20:10 About GINGER - neural network conformer generator
27:00 How to run CombiRIDGE in ICM and live demo

Taught by

MolSoft Molecules in Silico

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