Structural Basis of Fullerene Derivatives as Novel Potent Inhibitors of Protein Tyrosine Phosphatase 1B: Insight into the Inhibitory Mechanism through Molecular Modeling Studies.
Mengdan QianYaming ShanShanshan GuanHao ZhangSong WangWeiwei HanPublished in: J. Chem. Inf. Model. (2016)
Keyphrases
- molecular structures
- molecular dynamics
- protein structure prediction
- protein protein interactions
- drug discovery
- higher order
- virtual screening
- pairwise
- structural analysis
- three dimensional
- structural information
- hiv protease
- sequence analysis
- molecular dynamics simulations
- neural network
- subcellular localization
- interaction networks
- mass spectrometry
- scientific data
- computational model