Mgr. Aleš Křenek, Ph.D.
Research and development staff II, Core Facilities
correspondence Address:
Šumavská 525/33, 602 00 Brno
office: G308
Šumavská 416/15
602 00 Brno
phone: | +420 549 49 4212 |
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e‑mail: |
social and academic networks: |
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Total number of publications: 70
2015
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High-quality and universal empirical atomic charges for chemoinformatics applications
Journal of Cheminformatics, year: 2015, volume: 7, edition: DEC, DOI
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Nonlinear vs. linear biasing in Trp-cage folding simulations
Journal of the chemical society. Faraday transactions II, Journal of chemical physics, year: 2015, volume: 142, edition: 11, DOI
2014
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Genome assembly and annotation for red clover (Trifolium pratense; Fabaceae)
American Journal of Botany, year: 2014, volume: 101, edition: 2, DOI
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NEEMP – Tool for parameterization of empirical charge calculation method EEM
Year: 2014, type: Conference abstract
2013
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3.5 Million Smartmeters in the Cloud
Proceedings ISGC 2013, year: 2013
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Advanced implementation of atomic charge calculation with electronegativity equalization
Year: 2013, type: Conference abstract
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Empirical charges for chemoinformatics applications
Year: 2013, type: Conference abstract
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Nemesis - a molecular modeling package
Journal of Cheminformatics 2013, 5(Suppl 1), year: 2013
2011
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Compression of Vector Field Changing in Time
Sixth Doctoral Workshop on Mathematical and Engineering Methods in Computer Science, year: 2011
2010
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Compression of Vector Field Changing in Time
MEMICS 2010: Sixth Doctoral Workshop on Mathematical and Engineering Methods in Computer Science, year: 2010