Binding Thermodynamics and Interaction Patterns of Inhibitor-Major Urinary Protein-I Binding from Extensive Free-Energy Calculations: Benchmarking AMBER Force Fields.
Zhe HuaiZhaoxi ShenZhaoxi SunPublished in: J. Chem. Inf. Model. (2021)
Keyphrases
- free energy
- hiv protease
- interaction patterns
- coarse grained
- belief propagation
- upper bound
- protein protein interactions
- fixed point
- competitive learning
- content analysis
- social network analysis
- posterior distribution
- information theoretic
- social interaction
- image segmentation
- approximate inference
- active contours
- graph cuts
- dynamic programming
- data analysis