TY  - RPRT
TI  - Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase Catalysis
AU  - Fattebert, Jean-Luc
AU  - Lau, Edmond Y.
AU  - Bennion, Brian J.
AU  - Huang, Patrick
AU  - Lightstone, Felice C.
PY  - 2015
DO  - 10.1021/acs.jctc.5b00606
UR  - https://www.osti.gov/biblio/1241999
ID  - 1241999
ER  -