prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations.
Ramu AnandakrishnanBoris AguilarAlexey OnufrievPublished in: Nucleic Acids Res. (2012)
Keyphrases
- molecular structure
- prediction accuracy
- molecular dynamics
- structural analysis
- simulation data
- three dimensional
- prediction error
- protein structure prediction
- information technology
- numerical simulations
- prediction model
- real time
- prediction algorithm
- predictive modeling
- case study
- modeling tool
- agent based modeling
- drug design
- machine learning
- data mining