Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations.
Victor H. RusuDenys E. S. SantosMarcelo Depólo PolêtoMarcelo GalheigoAntônio Tadeu A. GomesHugo VerliThereza A. SoaresRoberto D. LinsPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- molecular dynamics
- semi automated
- molecular dynamics simulations
- higher order
- high order
- virtual reality
- fully automated
- database
- automated analysis
- computer graphics
- computer aided
- user friendly
- three dimensional
- computer vision
- web server
- degrees of freedom
- simulation model
- augmented reality
- markov random field
- neural network