Elucidating Hyperconjugation from Electronegativity to Predict Drug Conformational Energy in a High Throughput Manner.
Zhaomin LiuJoshua PottelMoeed ShahamatAnna TombergPaul LabuteNicolas MoitessierPublished in: J. Chem. Inf. Model. (2016)
Keyphrases
- high throughput
- low energy
- microarray
- genome wide
- biological data
- protein protein interactions
- systems biology
- experimentally determined
- virtual screening
- genomic data
- data acquisition
- mass spectrometry data
- low latency
- gene expression
- energy consumption
- gene expression levels
- dna sequencing
- predicting protein
- proteomic data
- mass spectrometry
- low cost
- drug discovery
- gene expression data
- protein folding
- living cells
- gene expression profiles
- coarse grained
- monitoring system
- data mining
- analysis of gene expression