# Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase Catalysis

> Research article (Journal of Chemical Theory and Computation, 2015) · cited 12× · AI/ML

**Wikidata**: [openalex:W2304548541](https://www.wikidata.org/wiki/openalex:W2304548541)  
**Source**: https://4ort.xyz/entity/large-scale-first-principles-molecular-dynamics-simulations-with-electrostatic-embedding-application-to-acetylcholineste