@article{machinelearningharnessesmoleculardynamic, title = {Machine Learning Harnesses Molecular Dynamics to Discover New $μ$ Opioid Chemotypes}, author = {Evan N. Feinberg and Amir Barati Farimani and Rajendra Uprety and Amanda Hunkele and Gavril W. Pasternak and Susruta Majumdar and Vijay S. Pande}, year = {2018}, eprint = {1803.04479}, archivePrefix = {arXiv}, url = {http://arxiv.org/abs/1803.04479v1}, }