Adaptive torsion-angle quasi-statics: a general simulation method with applications to protein structure analysis and design

@article{Rossi2007AdaptiveTQ,
  title={Adaptive torsion-angle quasi-statics: a general simulation method with applications to protein structure analysis and design},
  author={Romain Rossi and Mathieu Isorce and Sandy Morin and Julien Flocard and Karthik Arumugam and Serge Crouzy and Michel Vivaudou and St{\'e}phane Redon},
  journal={Bioinformatics},
  year={2007},
  volume={23 13},
  pages={i408-17}
}
MOTIVATION The cost of molecular quasi-statics or dynamics simulations increases with the size of the simulated systems, which is a problem when studying biological phenomena that involve large molecules over long time scales. To address this problem, one has often to either increase the processing power (which might be expensive), or make arbitrary simplifications to the system (which might bias the study). RESULTS We introduce adaptive torsion-angle quasi-statics, a general simulation… CONTINUE READING