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GTC ON-DEMAND

Computational Biology & Chemistry
Presentation
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A New Level of Protein-Protein Complexes Prediction in Modern Drug Design
Abstract:
Attendees will learn how GPU computing significantly increases accuracy of predictions in solving one of the hardest structural bioinformatics problem -- protein-protein complexes prediction (docking). We will present how it is used in modern drug discovery by Russian biotechnology company BIOCAD. Protein-protein docking appears on a number of steps in modern drug discovery, so it is essential to make accurate predictions to design more quality drugs. It is a very computationally intensive task due to large solution space and big sizes of protein molecular systems. GPU computing makes it possible to scan huge solution space by solid metric of Gibbs Free Energy, thereby, significantly improving the quality of predictions as well as decreases overall calculation time.
 
Topics:
Computational Biology & Chemistry, Genomics & Bioinformatics
Type:
Talk
Event:
GTC Silicon Valley
Year:
2018
Session ID:
S8226
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