IMERGE-FEP: Improving Relative Free Energy Calculation Convergence with Chemical Intermediates.

Schoenmaker L, Jiskoot DA, Scheen J, Cheng E, Gapsys V, Hahn DF, Ries B, van Westen GJP, Mobley DL, Jespers W

DOI: 10.1021/acs.jpcb.4c07156
Published: 2025 Mar 6
Container: The journal of physical chemistry. B
Publisher: Not recorded
Open access: yes

Credibility signals

limited evidence Score 45/100 under policy 1.0.0. This is a metadata assessment, not a judgment of the paper's conclusions.

Show all credibility signals

cautionDOI registered: No matching Crossref record was present in this response. Source: Crossref; license: CC0 metadata
cautionDOI resolves: No matching Crossref record was present in this response. Source: Crossref; license: CC0 metadata
not scoredDirectory of Open Access Journals: No matching DOAJ record was present in this response. No allow-list match; this is not evidence of low credibility. Source: DOAJ; license: CC0
not scoredMEDLINE indexed: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredOpenAlex core source: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredKnown publisher allow-list: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredROR affiliation: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredRetraction Watch retraction: No retraction notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredRetraction Watch expression of concern: No expression of concern notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredRetraction Watch correction: No correction notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredRetraction Watch reinstatement: No reinstatement notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
supportingOpen access status: Normalized open-access status: open. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
not scoredPublication license: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredPublication version: A publication version was supplied but is not scored. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer

Cite this work

BibTeX

@article{allodium:10.1021/acs.jpcb.4c07156,
  title = {IMERGE-FEP: Improving Relative Free Energy Calculation Convergence with Chemical Intermediates.},
  author = {Schoenmaker L and Jiskoot DA and Scheen J and Cheng E and Gapsys V and Hahn DF and Ries B and van Westen GJP and Mobley DL and Jespers W},
  year = {2025},
  journal = {The journal of physical chemistry. B},
  doi = {10.1021/acs.jpcb.4c07156},
  url = {https://doi.org/10.1021/acs.jpcb.4c07156}
}

RIS

TY  - JOUR
TI  - IMERGE-FEP: Improving Relative Free Energy Calculation Convergence with Chemical Intermediates.
AU  - Schoenmaker L
AU  - Jiskoot DA
AU  - Scheen J
AU  - Cheng E
AU  - Gapsys V
AU  - Hahn DF
AU  - Ries B
AU  - van Westen GJP
AU  - Mobley DL
AU  - Jespers W
PY  - 2025
JO  - The journal of physical chemistry. B
DO  - 10.1021/acs.jpcb.4c07156
UR  - https://doi.org/10.1021/acs.jpcb.4c07156
ER  -

APA

L, S., DA, J., J, S., E, C., V, G., DF, H., B, R., GJP, V. W., DL, M., & W, J. (2025). IMERGE-FEP: Improving Relative Free Energy Calculation Convergence with Chemical Intermediates.. The journal of physical chemistry. B. https://doi.org/10.1021/acs.jpcb.4c07156

Source records

pubmed · retrieved 2026-09-25T07:25:13.662Z