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
2014
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ValidatorDB: database of validation results for ligands and non-standard residues from the Protein Data Bank
Year: 2014
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Web server for the rapid calculation of empirical atomic charges with QM accuracy
Year: 2014, type: Conference abstract
2013
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MOLE 2.0: advanced approach for analysis of biomacromolecular channels
Journal of Cheminformatics, year: 2013, volume: 5, edition: 39, DOI
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MOLE 2.0: Improved Approach for Analysis of Biomacromolecular Channels and Pores
Year: 2013, type: Appeared in Conference without Proceedings
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Predicting pKa values from EEM atomic charges
Journal of Cheminformatics, year: 2013, volume: 5, edition: 18, DOI
2012
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BH3-ONLY PROTEINS - FROM STRUCTURE TO FUNCTION
Year: 2012, type: Appeared in Conference without Proceedings
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MOLEonline 2.0: Interactive Web-based Analysis of Biomacromolecular Channels
Nucleic Acids Research, year: 2012, volume: 40, edition: W1, DOI
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Predicting pKa values of substituted phenols by QSPR models which employ EEM atomic charges
Year: 2012, type: Conference abstract
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SiteBinder: An improved approach for comparing multiple protein structural motifs
Journal of Chemical Information and Modeling, year: 2012, volume: 52, edition: 2, DOI
2011
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Comparison of protein structural motifs – challenges and algorithms. Improved approach and case studies
Year: 2011, type: Conference abstract