TIES 2.0: A Dual-Topology Open Source Relative Binding Free Energy Builder with Web Portal.
Mateusz K. BieniekAlexander D. WadeAgastya P. BhatiShunzhou WanPeter V. CoveneyPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- free energy
- web portal
- open source
- belief propagation
- graphical user interface
- competitive learning
- fixed point
- digital government
- website
- test bed
- posterior distribution
- upper bound
- knowledge management
- approximate inference
- e learning
- geographic information systems
- information systems
- information seeking
- parameter estimation
- case study
- neural network
- decision making
- recommender systems