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Updated: Jul 4, 2026

High-Throughput Screening to Obtain Crystal Hits for Protein Crystallography
Published on: March 10, 2023
Virtual high throughput screening (vHTS) on an optical high speed testbed
Mohammad Shahid1, Wolfgang Ziegler, Vinod Kasam
1Fraunhofer Institute SCAI, Department of Bioinformatics, Germany.
Abstract:
Malaria remains a global health concern, which kills over a million people each year. In this paper we present work extending the approach of the WISDOM initiative by focusing on the problems noticed during the first WISDOM challenge against malaria and test the newly established, high bandwidth optical Grid environment VIOLA for advanced bioinformatics applications using the UNICORE middleware service. In addition we present an approach to reduce the size of the compound database to improve the efficiency of the screening.

