Development of human lactate dehydrogenase a inhibitors: high-throughput screening, molecular dynamics simulation and enzyme activity assay.
Yuanyuan ShuJianda YueYaqi LiYekui YinJiaxu WangTingting LiXiao HeSongping LiangGaihua ZhangZhonghua LiuYing WangPublished in: J. Comput. Aided Mol. Des. (2024)
Keyphrases
- high throughput
- molecular dynamics
- microarray
- genome wide
- molecular dynamics simulations
- biological data
- protein protein interactions
- systems biology
- automated image analysis
- protein folding
- data generation
- high performance computing
- data acquisition
- human activities
- scientific data
- proteomic data
- drug discovery
- metabolic pathways
- mass spectrometry data
- mass spectrometry
- database