Quantum chemical and molecular mechanics studies on the assessment of interactions between resveratrol and mutant SOD1 (G93A) protein.
E. SrinivasanR. RajasekaranPublished in: J. Comput. Aided Mol. Des. (2018)
Keyphrases
- drug discovery
- virtual screening
- chemical reactions
- protein protein
- interaction networks
- quantum mechanics
- molecular dynamics
- molecular structures
- van der waals
- chemical compounds
- drug design
- chemical reaction
- protein interaction
- protein structure prediction
- high throughput
- computational methods
- cellular processes
- mass spectrometry
- molecular dynamics simulations
- similarity searching
- protein function
- binding sites
- protein protein interactions
- sequence analysis
- systems biology
- molecular level
- protein structure
- protein sequences
- particle swarm optimization
- protein complexes
- dna binding
- biological data
- signal transduction
- molecular interactions
- differential evolution