One Blob to Rule Them All: A Universal Dual-Topology Nonequilibrium Framework for Relative and Absolute Binding Free Energies via a Lennard-Jones Blob Reference

Piero Procacci

Open source

DOI
10.1021/acs.jctc.6c00932
Published
2026-08-12
Container
Journal of Chemical Theory and Computation
Publisher
American Chemical Society (ACS)
Open access
unknown

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BibTeX

@article{allodium:10.1021/acs.jctc.6c00932,
  title = {One Blob to Rule
Them All: A Universal Dual-Topology
Nonequilibrium Framework for Relative and Absolute Binding Free Energies
via a Lennard-Jones Blob Reference},
  author = {Piero Procacci},
  year = {2026},
  journal = {Journal of Chemical Theory
and Computation},
  doi = {10.1021/acs.jctc.6c00932},
  url = {https://doi.org/10.1021/acs.jctc.6c00932}
}

RIS

TY  - JOUR
TI  - One Blob to Rule
Them All: A Universal Dual-Topology
Nonequilibrium Framework for Relative and Absolute Binding Free Energies
via a Lennard-Jones Blob Reference
AU  - Piero Procacci
PY  - 2026
JO  - Journal of Chemical Theory
and Computation
DO  - 10.1021/acs.jctc.6c00932
UR  - https://doi.org/10.1021/acs.jctc.6c00932
ER  - 

APA

Procacci, P. (2026). One Blob to Rule Them All: A Universal Dual-Topology Nonequilibrium Framework for Relative and Absolute Binding Free Energies via a Lennard-Jones Blob Reference. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.6c00932

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