This series of GPU projects to simulation the Nonstructural protein 12 (nsp12) and Nonstructural protein 14 (nsp14) complexes. We will screen existing FDA-approved NTP analog drugs (e.g. Ribirine). We aim to repurpose drugs that can inhibit SARS-CoV-2 replication
16600: Nonstructural protein 14 and 10 (nsp14-ExoN & nsp 10) of the SARS-CoV-2 in complex with a short nascent RNA containing Cladribine at 3'-terminal.
List of Contributors
This project is managed by Prof. Xuhui Huang at Hong Kong University of Science and Technology.
The main goal of the Huang lab is to understand and manipulate fundamental biological processes associated with conformational changes by developing and applying novel computational tools which bridge the gap between experiments and simulations. Examples of our interested research areas include RNA folding, protein misfolding/aggregration, conformational changes in Transcription Elongation, and the development of Markov State Models for long timescale dynamics. We have set up a hub for Folding@Home in Asia.
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