Comparative Analysis of Relative Ligand Binding Free Energy Simulation Methods: Amber-TI, GROMACS-NETI, OpenMM-FEP, and BLaDE-MSLD
- DOI
- 10.1021/acs.jctc.6c01744
- Published
- 2026-10-09
- Container
- Journal of Chemical Theory and Computation
- Publisher
- American Chemical Society (ACS)
- Open access
- unknown
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Cite this work
BibTeX
@article{allodium:10.1021/acs.jctc.6c01744,
title = {Comparative Analysis
of Relative Ligand Binding Free
Energy Simulation Methods: Amber-TI, GROMACS-NETI, OpenMM-FEP, and
BLaDE-MSLD},
author = {Hajin Lee and Injung Kim and Sungjun Kim and Minsik Bae and Bomi Jeong and Seonghoon Kim and Sunhwan Jo and Jumin Lee and Wonpil Im},
year = {2026},
journal = {Journal of Chemical Theory
and Computation},
doi = {10.1021/acs.jctc.6c01744},
url = {https://doi.org/10.1021/acs.jctc.6c01744}
}RIS
TY - JOUR TI - Comparative Analysis of Relative Ligand Binding Free Energy Simulation Methods: Amber-TI, GROMACS-NETI, OpenMM-FEP, and BLaDE-MSLD AU - Hajin Lee AU - Injung Kim AU - Sungjun Kim AU - Minsik Bae AU - Bomi Jeong AU - Seonghoon Kim AU - Sunhwan Jo AU - Jumin Lee AU - Wonpil Im PY - 2026 JO - Journal of Chemical Theory and Computation DO - 10.1021/acs.jctc.6c01744 UR - https://doi.org/10.1021/acs.jctc.6c01744 ER -
APA
Lee, H., Kim, I., Kim, S., Bae, M., Jeong, B., Kim, S., Jo, S., Lee, J., & Im, W. (2026). Comparative Analysis of Relative Ligand Binding Free Energy Simulation Methods: Amber-TI, GROMACS-NETI, OpenMM-FEP, and BLaDE-MSLD. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.6c01744
Source records
- crossref · retrieved 2026-11-10T10:55:14.735Z