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SiteBinder - an improved approach for comparing multiple protein structural motifs. Case studies on biologically important motifs.

D. Sehnal, R. Vareková, H. Huber, S. Geidl, C. Ionescu, M. Wimmerová, and J. Koca. J. Cheminformatics, 4 (S-1): 59 (2012)

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Stanislav Shevchuk University of Stuttgart

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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)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)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)How Does the Methodology of 3D Structure Preparation Influence the Quality of pKa Prediction?S. Geidl, R. Vareková, V. Bendová, L. Petrusek, C. Ionescu, Z. Jurka, R. Abagyan, and J. Koca. Journal of Chemical Information and Modeling, 55 (6): 1088-1097 (2015)QM quality atomic charges for proteins.S. Geidl, C. Ionescu, R. Vareková, and J. Koca. J. Cheminformatics, 6 (S-1): 61 (2014)ValidatorDB: database of up-to-date validation results for ligands and non-standard residues from the Protein Data Bank.D. Sehnal, R. Vareková, L. Pravda, C. Ionescu, S. Geidl, V. Horský, D. Jaiswal, M. Wimmerová, and J. Koca. Nucleic Acids Research, 43 (Database-Issue): 369-375 (2015)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)SiteBinder: An Improved Approach for Comparing Multiple Protein Structural Motifs.D. Sehnal, R. Vareková, H. Huber, S. Geidl, C. Ionescu, M. Wimmerová, and J. Koca. Journal of Chemical Information and Modeling, 52 (2): 343-359 (2012)QSPR designer - a program to design and evaluate QSPR models. Case study on pKa prediction.O. Skrehota, R. Vareková, S. Geidl, M. Kudera, D. Sehnal, C. Ionescu, and J. Koca. J. Cheminformatics, 3 (S-1): 16 (2011)

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Disambiguation of "Geidl, Stanislav"

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SiteBinder - an improved approach for comparing multiple protein structural motifs. Case studies on biologically important motifs.

Please choose a person to relate this publication to

Stanislav Shevchuk University of Stuttgart

Other publications of authors with the same name

Disambiguation

PUMA

Disambiguation of "Geidl, Stanislav"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML SiteBinder - an improved approach for comparing multiple protein structural motifs. Case studies on biologically important motifs.

Please choose a person to relate this publication to

Stanislav Shevchuk University of Stuttgart

Other publications of authors with the same name

Disambiguation

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URL
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SiteBinder - an improved approach for comparing multiple protein structural motifs. Case studies on biologically important motifs.