PreprintLicence not statedChemRxiv
POLEN: An OpenMM Framework for ML/MM Simulations with Mutually Polarizable AMOEBA Embedding
- 1Center of Natural Sciences and Humanities
- 2Federal University of ABC
Related
- Polarizable Embedding for Photoelectron Spectroscopy and Photoelectron Circular Dichroism in Solution: Core-Level Ionization of Aqueous Alanine
- Multireference Polarizable Embedding for Core-Level Spectroscopy in Aqueous Solution: XPS and XAS of Glycine
- MPID Polarizable Force Field: GPU Implementation and Biomolecular Simulations
- SandCat: OpenMM Framework for Prospective Cryptic Pocket Discovery
- Machine-Learned Compact Subspace Generation for Quantum Selected Configuration Interaction within Density Matrix Embedding Framework
BibTeX
@misc{cunha2026polen,
title = {{POLEN: An OpenMM Framework for ML/MM Simulations with Mutually Polarizable AMOEBA Embedding}},
author = {Renato D. Cunha and Leonardo J. Duarte and Maurício D. Coutinho-Neto and Paula Homem-de-Mello and Vitor H. Paschoal},
howpublished = {ChemRxiv},
year = {2026},
month = nov,
doi = {10.26434/chemrxiv.15011762/v1},
url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011762/v1},
}
RIS
TY - UNPB
TI - POLEN: An OpenMM Framework for ML/MM Simulations with Mutually Polarizable AMOEBA Embedding
AU - Renato D. Cunha
AU - Leonardo J. Duarte
AU - Maurício D. Coutinho-Neto
AU - Paula Homem-de-Mello
AU - Vitor H. Paschoal
PY - 2026
DA - 2026/11/05
PB - ChemRxiv
DO - 10.26434/chemrxiv.15011762/v1
UR - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011762/v1
ER -