RNDr. David Sehnal, Ph.D.
Researcher III, National Centre for Biomolecular Research
Correspondence Address:
Kotlářská 267/2, 611 37 Brno
Office: bldg. C04/214
Kamenice 753/5
625 00 Brno
Phone: | +420 549 49 8127 |
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E‑mail: |
social and academic networks: |
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Total number of publications: 69
2011
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Fast methods of atomic charge calculation: the Electronegativity Equalization Method for proteins.
Year: 2011, type: Conference abstract
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Predicting pK(a) values of substituted phenols from atomic charges: Comparison of different quantum mechanical methods and charge distribution schemes
Journal of Chemical Information and Modeling, year: 2011, volume: 51, edition: 8
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Predicting pKa values of substituted phenols from atomic charges.
Year: 2011, type: Conference abstract
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QSPR modeling – algorithms, challenges and IT solutions
Year: 2011, type: Conference abstract
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Searching for tunnels of proteins - comparison of approaches and available software tools
Year: 2011, type: Conference abstract
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SiteBinder – an improved approach for comparing multiple protein structural motifs. Case studies on biologically important motifs
Year: 2011, type: Conference abstract
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SiteBinder – an improved software superimposing multiple protein structural motifs and its applications
Year: 2011, type: Conference abstract
2010
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QSPR Designer - a program to design and evaluate QSPR models. Case study on pKa prediction
6th German Conference on Chemoinformatics, year: 2010
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SiteBinder – software tool for superimposing multiple structural motives
8th Discussions in Structural Molecular Biology, year: 2010