Examining Product Specificity in Protein Arginine Methyltransferase 7 (PRMT7) Using Quantum and Molecular Mechanical Simulations.
Abhishek ThakurJoan M. HevelOrlando AcevedoPublished in: J. Chem. Inf. Model. (2019)
Keyphrases
- molecular dynamics
- molecular dynamics simulations
- quantum mechanics
- molecular structures
- high performance computing
- protein folding
- protein structure prediction
- scientific data
- drug discovery
- virtual screening
- life cycle
- product design
- quantum computing
- drug design
- protein structure
- signaling pathways
- chemical reactions
- product information
- quantum computation
- protein sequences
- amino acids
- interaction networks
- mechanical design
- protein protein
- chemical reaction
- sequence analysis