Exploring the Molecular Mechanism of Cross-Resistance to HIV-1 Integrase Strand Transfer Inhibitors by Molecular Dynamics Simulation and Residue Interaction Network Analysis.
Weiwei XueXiaojie JinLulu NingMeixia WangHuanxiang LiuXiaojun YaoPublished in: J. Chem. Inf. Model. (2013)
Keyphrases
- molecular dynamics
- network analysis
- molecular dynamics simulations
- social network analysis
- high performance computing
- scientific data
- protein folding
- protein protein interactions
- human immunodeficiency virus
- network structure
- complex networks
- link prediction
- text mining
- fluid flow
- data warehouse
- amino acids
- secondary structure
- graph theory
- drug discovery
- community structure
- drug resistance
- machine learning
- social networks
- protein interaction
- power consumption
- random walk