@article{aworkflowforexploringliganddissociation, title = {A Workflow for Exploring Ligand Dissociation from a Macromolecule: Efficient Random Acceleration Molecular Dynamics Simulation and Interaction Fingerprints Analysis of Ligand Trajectories}, author = {Daria B. Kokha and Bernd Doser and Stefan Richter and Fabian Ormersbach and Xingyi Cheng and Rebecca C. Wade}, year = {2020}, eprint = {2006.11066}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2006.11066v2}, }