About
Contact & Profiles
A5092841060
Research Areas
- Scientific Computing and Data Management
- Computational Drug Discovery Methods
- Protein Structure and Dynamics
Texas Advanced Computing Center
2023
Virtual screening is a key step of the drug discovery process which utilizes computational resources to simulate behavior small molecules in binding site target protein. [13] Researchers often test millions when searching for an early hit compound, requiring significant CPU hours. An accessible, convenient, fast, and computationally efficient means virtual desirable order researchers conserve phase discovery. We developed application programming interface (API) integrated workflow that...
10.1145/3569951.3597599
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Practice and Experience in Advanced Research Computing
2023-07-23
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