@misc{indiciae699335effe92, title = {Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase Catalysis}, author = {Fattebert, Jean-Luc and Lau, Edmond Y. and Bennion, Brian J. and Huang, Patrick and Lightstone, Felice C.}, year = {2015}, doi = {10.1021/acs.jctc.5b00606}, url = {https://www.osti.gov/biblio/1241999}, note = {Source identifier: 1241999} }