The coordination of the catalytic zinc ion in alcohol dehydrogenase studied by combined quantum-chemical and molecular mechanics calculations.
Ulf RydePublished in: J. Comput. Aided Mol. Des. (1996)
Keyphrases
- quantum mechanics
- drug discovery
- multi agent
- chemical reactions
- information sharing
- cooperative
- virtual screening
- molecular level
- quantum computing
- information retrieval
- probability ranking principle
- chemical reaction
- multi agent reinforcement learning
- distributed agents
- coordination mechanism
- dna computing
- chemical compounds
- information exchange
- three dimensional
- databases