The DOI matches its Crossref record; 25 of the 25 references it cites were found in a registry or an index.
Fast empirical pKa prediction by Ewald summation
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Citations
Cites
A smooth particle mesh Ewald method
Essmann, U., Perera, L., Berkowitz, M. L., Darden, T., Lee, H., & Pedersen, L. G. (1995) · The Journal of Chemical Physics · doi:10.1063/1.470117 · Cited by 22,514
Die Berechnung optischer und elektrostatischer Gitterpotentiale
Ewald, P. P. (1921) · Annalen der Physik · doi:10.1002/andp.19213690304 · Cited by 6,013
Wang, J., Cieplak, P., & Kollman, P. A. (2000) · Journal of Computational Chemistry · doi:10.1002/1096-987x(200009)21:12<1049::aid-jcc3>3.0.co;2-f · Cited by 4,015
WHAT IF: A molecular modeling and drug design program
Vriend, G. (1990) · Journal of Molecular Graphics · doi:10.1016/0263-7855(90)80070-v · Cited by 3,469
Self-citationIncreasing the precision of comparative models with YASARA NOVA—a self‐parameterizing force field
Krieger, E., Koraimann, G., & Vriend, G. (2002) · Proteins: Structure, Function, and Bioinformatics · doi:10.1002/prot.10104 · Cited by 1,514
Self-citationCalculation of the electric potential in the active site cleft due to α-helix dipoles
Warwicker, J., & WATSON, H. C. (1982) · Journal of Molecular Biology · doi:10.1016/0022-2836(82)90505-8 · Cited by 927
Making optimal use of empirical energy functions: Force‐field parameterization in crystal space
Krieger, E., Darden, T., Nabuurs, S. B., Finkelstein, A., & Vriend, G. (2004) · Proteins: Structure, Function, and Bioinformatics · doi:10.1002/prot.20251 · Cited by 853
Self-citationPrediction of Ph-dependent Properties of Proteins
Antosiewicz, J., McCammon, J. A., & Gilson, M. K. (1994) · Journal of Molecular Biology · doi:10.1006/jmbi.1994.1301 · Cited by 815
On the calculation of p Kas in proteins
Yang, A., Gunner, M. R., Sampogna, R., Sharp, K., & Honig, B. (1993) · Proteins: Structure, Function, and Bioinformatics · doi:10.1002/prot.340150304 · Cited by 508
Combining Conformational Flexibility and Continuum Electrostatics for Calculating pKas in Proteins
Georgescu, R. E., Alexov, E. G., & Gunner, M. R. (2002) · Biophysical Journal · doi:10.1016/s0006-3495(02)73940-4 · Cited by 466
Cited by
X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel
Nury, H., Van Renterghem, C., Weng, Y., Tran, A., Baaden, M., Dufresne, V., Changeux, J.-P., Sonner, J. M., Delarue, M., & Corringer, P.-J. (2011) · Nature · doi:10.1038/nature09647 · Cited by 412
Gentile, D., Patamia, V., Scala, A., Sciortino, M. T., Piperno, A., & Rescifina, A. (2020) · Marine Drugs · doi:10.3390/md18040225 · Cited by 319
Flück, C. E., Meyer-Böni, M., Pandey, A. V., Kempná, P., Miller, W. L., Schoenle, E. J., & Biason-Lauber, A. (2011) · The American Journal of Human Genetics · doi:10.1016/j.ajhg.2011.06.009 · Cited by 248
Cloxyquin activates hTRESK by allosteric modulation of the selectivity filter
Schreiber, J. A., Derksen, A., Goerges, G., Schütte, S., Sörgel, J., Kiper, A. K., Strutz-Seebohm, N., Ruck, T., Meuth, S. G., Decher, N., et al. (2023) · Communications Biology · doi:10.1038/s42003-023-05114-4 · Cited by 7
Metadata
- Authors
- Krieger, E., Nielsen, J. E., Spronk, C. A. E. M., & Vriend, G.
- Venue
- Journal of Molecular Graphics and Modelling
- Publisher
- Elsevier BV
- Published
- 2006-12
- Volume
- 25
- Issue
- 4
- Pages
- 481-486
- ISSN
- 1093-3263 (ISSN-L)
- OpenAlex
- W2013257331
- Cited by
- 473
- References
- 25
- FWCI
- 2.09
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Fast empirical pKa prediction by Ewald summation. https://app.cochat.ai/papers/10.1016/j.jmgm.2006.02.009
- The paper
- Krieger, E., Nielsen, J. E., Spronk, C. A. E. M., & Vriend, G. (2006). Fast empirical pKa prediction by Ewald summation. Journal of Molecular Graphics and Modelling. https://doi.org/10.1016/j.jmgm.2006.02.009
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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.
