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Free energy calculations: a breakthrough for modeling organic chemistry in solution
Abstract
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTFree energy calculations: a breakthrough for modeling organic chemistry in solutionWilliam L. JorgensenCite this: Acc. Chem. Res. 1989, 22, 5, 184–189Publication Date (Print):May 1, 1989Publication History Published online1 May 2002Published inissue 1 May 1989https://pubs.acs.org/doi/10.1021/ar00161a004https://doi.org/10.1021/ar00161a004research-articleACS PublicationsRequest reuse permissionsArticle Views2493Altmetric-Citations558LEARN 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
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Cites
Equation of State Calculations by Fast Computing Machines
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Self-citationCarrier-Based Ion-Selective Electrodes and Bulk Optodes. 1. General Characteristics
Bakker, E., Bühlmann, P., & Pretsch, E. (1997) · Chemical Reviews · doi:10.1021/cr940394a · Cited by 2,369
Current Status of Transition-State Theory
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pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model
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Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems
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Computations of Standard Binding Free Energies with Molecular Dynamics Simulations
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Standard Binding Free Energies from Computer Simulations: What Is the Best Strategy?
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Block-Localized Wavefunction (BLW) Method at the Density Functional Theory (DFT) Level
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Using AMBER18 for Relative Free Energy Calculations
Song, L. F., Lee, T.-S., Zhu, C., York, D. M., & Merz, K. M. (2019) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.9b00105 · Cited by 234
Cui, Q., Sulea, T., Schrag, J. D., Munger, C., Hung, M.-N., Naïm, M., Cygler, M., & Purisima, E. O. (2008) · Journal of Molecular Biology · doi:10.1016/j.jmb.2008.04.035 · Cited by 162
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Enantiospecific Adsorption of Amino Acids on Hydroxylated Quartz (0001)
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Enantiospecific adsorption of amino acids on hydroxylated quartz (1010)
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Metadata
- Authors
- Jorgensen, W. L.
- Venue
- Accounts of Chemical Research
- Publisher
- American Chemical Society (ACS)
- Published
- 1989-05-01
- Volume
- 22
- Issue
- 5
- Pages
- 184-189
- ISSN
- 0001-4842 (ISSN-L)
- 1520-4898
- OpenAlex
- W2066787645
- Cited by
- 634
- References
- 1
- FWCI
- 10.48
- Type
- journal article
- Language
- en
- Open access
- closed
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