The DOI matches its Crossref record.
Free energy perturbation method for chemical reactions in the condensed phase: a dynamic approach based on a combined quantum and molecular mechanics potential
Abstract
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTFree energy perturbation method for chemical reactions in the condensed phase: a dynamic approach based on a combined quantum and molecular mechanics potentialPaul A. Bash, Martin J. Field, and Martin KarplusCite this: J. Am. Chem. Soc. 1987, 109, 26, 8092–8094Publication Date (Print):December 1, 1987Publication History Published online1 May 2002Published inissue 1 December 1987https://pubs.acs.org/doi/10.1021/ja00260a028https://doi.org/10.1021/ja00260a028research-articleACS PublicationsRequest reuse permissionsArticle Views704Altmetric-Citations288LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cited by
QM/MM Methods for Biomolecular Systems
Senn, H. M., & Thiel, W. (2009) · Angewandte Chemie International Edition · doi:10.1002/anie.200802019 · Cited by 2,684
Current Status of Transition-State Theory
Truhlar, D. G., Garrett, B. C., & Klippenstein, S. J. (1996) · The Journal of Physical Chemistry · doi:10.1021/jp953748q · Cited by 2,279
Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems
Orozco, M., & Luque, F. J. (2000) · Chemical Reviews · doi:10.1021/cr990052a · Cited by 622
Gao, J. (1996) · Accounts of Chemical Research · doi:10.1021/ar950140r · Cited by 517
Brunk, E., & Rothlisberger, U. (2015) · Chemical Reviews · doi:10.1021/cr500628b · Cited by 494
Duan, L., Liu, X., & Zhang, J. Z. H. (2016) · Journal of the American Chemical Society · doi:10.1021/jacs.6b02682 · Cited by 465
QM/MM Methods for Biological Systems
Senn, H. M., & Thiel, W. (2006) · Topics in Current Chemistry · doi:10.1007/128_2006_084 · Cited by 428
Methods and Applications of Combined Quantum Mechanical and Molecular Mechanical Potentials
Gao, J. (1996) · Reviews in Computational Chemistry · doi:10.1002/9780470125847.ch3 · Cited by 424
Eichinger, M., Tavan, P., Hutter, J., & Parrinello, M. (1999) · The Journal of Chemical Physics · doi:10.1063/1.479049 · Cited by 323
Philipp, D. M., & Friesner, R. A. (1999) · Journal of Computational Chemistry · doi:10.1002/(sici)1096-987x(19991115)20:14<1468::aid-jcc2>3.0.co;2-0 · Cited by 302
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed
Hwang, W., Austin, S. L., Blondel, A., Boittier, E. D., Boresch, S., Buck, M., Buckner, J., Caflisch, A., Chang, H.-T., Cheng, X., et al. (2024) · The Journal of Physical Chemistry B · doi:10.1021/acs.jpcb.4c04100 · Cited by 136
Self-citationInsights into the Catalytic Activity of a Metagenome-Derived Urethanase
Świderek, K., Arafet, K., de Sousa Batista, V., Grajales-Hernández, D., López-Gallego, F., & Moliner, V. (2025) · Journal of the American Chemical Society · doi:10.1021/jacs.5c13147 · Cited by 4
Metadata
- Authors
- Bash, P. A., Field, M. J., & Karplus, M.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 1987-12
- Volume
- 109
- Issue
- 26
- Pages
- 8092-8094
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2075319961
- Cited by
- 322
- References
- 0
- FWCI
- 5.04
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
