Unraveling the Ligand-Binding Sites of CYP3A4 by Molecular Dynamics Simulations with Solvent Probes.
Yanjun FengChangda GongJieyu ZhuGuixia LiuYun TangWeihua LiPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- binding sites
- molecular dynamics simulations
- molecular dynamics
- protein protein
- dna sequences
- virtual screening
- gene expression
- transcription factors
- sequence data
- motif discovery
- statistical significance
- single nucleotide polymorphisms
- scientific data
- regulatory elements
- microarray
- influenza virus
- transcription factor binding sites
- high performance computing
- data mining
- gene expression data
- computational methods
- statistically significant
- database systems
- databases