@article{915946, author = {Daniel R. Roe and Christina Bergonzo}, title = {PrepareForLeap: An automated tool for fast PDB-to-parameter generation}, year = {2022}, month = {2022-03-23 04:03:00}, publisher = {Journal of Computational Chemistry}, url = {https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=934240}, doi = {https://doi.org/10.1002/jcc.26847}, language = {en}, }