Author of the publication

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

Predicting pKa Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes.

R. Vareková, S. Geidl, C. Ionescu, O. Skrehota, M. Kudera, D. Sehnal, T. Bouchal, R. Abagyan, H. Huber, and J. Koca. Journal of Chemical Information and Modeling, 51 (8): 1795-1806 (2011)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

No persons found for author name Vareková, Radka Svobodová

add a person with the name Vareková, Radka Svobodová

Other publications of authors with the same name

Optimized and parallelized implementation of the electronegativity equalization method and the atom-bond electronegativity equalization method.R. Vareková, and J. Koca. Journal of Computational Chemistry, 27 (3): 396-405 (2006)AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules.C. Ionescu, D. Sehnal, F. Falginella, P. Pant, L. Pravda, T. Bouchal, R. Vareková, S. Geidl, and J. Koca. J. Cheminformatics, (2015)Predicting pKa values from EEM atomic charges.R. Vareková, S. Geidl, C. Ionescu, O. Skrehota, T. Bouchal, D. Sehnal, R. Abagyan, and J. Koca. J. Cheminformatics, (2013)Charge Profile Analysis Reveals That Activation of Pro-apoptotic Regulators Bax and Bak Relies on Charge Transfer Mediated Allosteric Regulation.C. Ionescu, R. Vareková, J. Prehn, H. Huber, and J. Koca. PLoS Computational Biology, (2012)Consistency of sugar structures and their annotation in the PDB.D. Jaiswal, D. Sehnal, R. Vareková, C. Ionescu, and J. Koca. J. Cheminformatics, 6 (S-1): 41 (2014)Empirical charges for chemoinformatics applications.T. Bouchal, R. Vareková, T. Racek, C. Ionescu, S. Geidl, A. Krenek, and J. Koca. J. Cheminformatics, 6 (S-1): 60 (2014)Searching for tunnels of proteins - comparison of approaches and available software tools.D. Jaiswal, R. Vareková, C. Ionescu, D. Sehnal, and J. Koca. J. Cheminformatics, 4 (S-1): 60 (2012)Software news and updates electronegativity equalization method: Parameterization and validation for organic molecules using the Merz-Kollman-Singh charge distribution scheme.Z. Jirousková, R. Vareková, J. Vanek, and J. Koca. Journal of Computational Chemistry, 30 (7): 1174-1178 (2009)MotiveValidator: interactive web-based validation of ligand and residue structure in biomolecular complexes.R. Vareková, D. Jaiswal, D. Sehnal, C. Ionescu, S. Geidl, L. Pravda, V. Horský, M. Wimmerová, and J. Koca. Nucleic Acids Research, 42 (Webserver-Issue): 227-233 (2014)BinaryCIF and CIFTools - Lightweight, efficient and extensible macromolecular data management.D. Sehnal, S. Bittrich, S. Velankar, J. Koca, R. Vareková, S. Burley, and A. Rose. PLoS Comput. Biol., (2020)

PUMA

Disambiguation of "Vareková, Radka Svobodová"

Please choose a person to relate this publication to

Other publications of authors with the same name

Disambiguation

PUMA

Disambiguation of "Vareková, Radka Svobodová"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Predicting pKa Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes.

Please choose a person to relate this publication to

Other publications of authors with the same name

Disambiguation