RNDr. Karel Berka, Ph.D.

Email: karel.berka@upol.cz  
Location:17. listopadu 12, 771 46 Olomouc, Czech Republic 
Phone: (+420) 58 563 4769
Fax: (+420) 585 634 761

 

Professional:
Born: 19. 6. 1982
2001 – 2006 –  Mgr. (M.Sc. equivalent) in Physical chemistry, Faculty of Science Charles University in Prague
2008 –  RNDr. in Physical Chemistry, Faculty of Science, Charles University in Prague
2009 - Ph.D. in Modelling of chemical properties of nano- and biomaterials, Faculty of Science, Charles University in Prague with collaboration of Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic. 

Employment:
2010 – recent: Junior Researcher, Regional Centre of Advanced Technologies and Materials, PalackyUniversityinOlomouc
2010 – recent: PostDoc Fellow, Department of Physical Chemistry, PalackyUniversityinOlomouc
2007 – 2010: PhD student, Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic
2003 – 2006: Technician, Institute of Physiology, Academy of Sciences of the Czech Republic
2002 – 2003: Technician, Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic

Research Activities:
Protein stabilization and function, molecular dynamics of biomolecules and their complexes, membrane protein simulations, small molecule docking, drug penetration through membranes.

Teaching Activites:
SS 2009/2010, 2010/2011 – Chapters from Physical Chemistry (KFC/KFCH, 2 h/week, lecturer)
WS 2010/2011, 2011/2012 – Physical Chemistry 2 (KFC/FC2, 2 h/week, teaching assistant)
WS 2010/2011, SS 2010/2011 – Bioinformatics and Computational Biology (KFC/BIN, 2 h/week, lecturer)
SS 2010/2011 – Physical Chemistry 1 (KFC/FC1, 2 h/week, teaching assistant)
WS 2011/2012 – Structural bioinformatics (KFC/STBI, 2 h/week, lecturer)

High school students:
One of authors of Korespondenční Seminář Inspirovaný Chemickou Tematikou (KSICHT) – www.ksicht.natur.cuni.cz – free-time teaching activities of high-school students in chemismy since 2001.
One of authors of Chemistry olympiad (ChO) category B (2008) and category A (2012).

Awards:
Dean award, Olomouc (2010), 1x Second best poster award, Prostab, Exeter, UK (2007)

Membership in scientific societies:
Co-founding author of KSICHT – Correspondence Seminar Inspired by Chemical Thematic for chemistry college education. Coauthor of physical chemistry part of Chemistry Olympiad 2011. Control committee member of FOBIA – Free and Open Bioinformatic Association.

Foreign visits:

 

2010 (Sep)               Université de Limoges, Limoges, France, group of dr. P. Trouillas
2009 (Aug-Oct)      POSTECH, Pohang, South Korea, group of prof. Kwang S. Kim
2008 (Nov)              EBI-EMBL, Hinxton, UK, group of prof. J. Thornton
2005 (Jul-Sep)       LBPA at ENS Cachan, Paris, France, group of prof. A. Lewit - Bentley

Publications -:
13  peer-reviewed scientific articles, 12 with Impact Factor, 86 citations; 78 without self-citations (11/28/2011), H-index: 5
17 conference contributions, 8 oral contributions.

Grants – Projects:
5 Research Grants/Projects, 1 as a principal investigator
GACR – 3, Research Centers – 2
2012-2014: GACR P303/12/P019 – principal investigator, post-doc grant

Top Publications

2011

  1. Oncak M, Berka K, Slavicek* P: Novel Covalent Bond in Proteins: Calculations on Model Systems Question the Bond Stability. Chem. Phys. Chem., accepted, 2011 (IF10 ~ 3.3)
  2. Berka, K.; Hendrychova, T.; Anzenbacher, P.; Otyepka, M. Membrane Position of Ibuprofen Agrees with Suggested Access Path Entrance to Cytochrome P450 2C9 Active Site. J. Phys. Chem. A, accepted, 2011 (IF10 ~ 2.7)
  3. Berka, K; Otyepka, M. Insenstivity to Close Contacts and Inability to Predict Protein Foldability Out of Thermodynamic Control? J. Biomol Struct Dyn 28(4), 633-634, 2011 (IF10 ~ 5.0)
  4. Kolář, M.; Berka, K.; Jurečka, P.; Hobza, P. On the Reliability of the AMBER Force Field and its Empirical Dispersion Contribution for the Description of Noncovalent Complexes. ChemPhysChem, 11 (11), 2399-2408, 2010 (IF09 ~ 3.5)
  5. Berka, K.; Laskowski, R.; Hobza, P.; Vondrášek, J., Energy Matrix of Structurally Important Side-Chain/Side-Chain Interactions in Proteins. J. Chem. Theory Comput. 6(7), 2191-2203, 2010 (IF09 ~ 4.8)
  6. Berka, K.; Laskowski, R.; Riley, K. E.; Hobza, P.; Vondrášek, J., Representative Amino Acid Side Chain Interactions in Proteins. A Comparison of Highly Accurate Correlated ab Initio Quantum Chemical and Empirical Potential Procedures J. Chem. Theory Comput., 5(4), 982-992, 2009 (IF09 ~ 4.8)
  7. Berka, K.; Hobza, P.; Vondrášek, J., Analysis of Energy Stabilization inside the Hydrophobic Core of Rubredoxin, ChemPhysChem, 10 (3),  543 – 548, 2009 (IF09 ~ 3.5)
  8. Biedermannova, L., Riley, K. E., Berka, K., Hobza, P. and Vondrášek, J., Another role of proline: stabilization interactions in proteins and protein complexes concerning proline and tryptophane Phys. Chem. Chem. Phys., 10, 6350 – 6359, 2008 (IF08 ~ 4.1)
  9. Řezáč, J., Jurečka, P., Riley, K. E., Černý, J., Valdes, H., Pluháčková, K., Berka, K., Řezáč, T., Pitoňák, M., Vondrášek, J., Hobza, P., Quantum chemical benchmark energy and geometry database for molecular clusters and complex molecular systems (www.begdb.com): A users manual and examples, Collect. Czech. Chem. Commun, 73 (10), 1261-1270, 2008 (IF08 ~ 0.8)
  10. Řezáč, J., Berka, K., Horinek, D., Hobza, P. and Vondrášek, J., The Stabilization Energy of the Glu-Lys Salt Bridge in the Protein/Water Environment: Correlated Quantum Chemical ab initio, DFT and Empirical Potential Studies., Collect. Czech. Chem. Commun, 73, 921-936, 2008 (IF08 ~ 0.8)

Older

Mazna, P., Berka, K., Jelinkova, I., Balik, A., Svoboda, P., Obsilova, V., Obsil, T., and Teisinger, J., Ligand binding to the human MT2 melatonin receptor: The role of residues in transmembrane domains 3, 6, and 7. Biochem. Biophys. Res. Commun., 332, 726-734, 2005. (IF05 ~ 3.0)
Mazna, P., Obsilova, V., Jelinkova, I., Balik, A., Berka, K., Sovova, Z., Ettrich, R., Svoboda, P., Obsil, T.,  and Teisinger, J., Molecular modeling of human MT2 melatonin receptor: the role of Val204, Leu272 and Tyr298 in ligand binding, J. Neurochem. 91, 836-842, 2004. (IF04 ~ 4.8)
Berka, K., Mazna, P., Jelínková, I., Balík, A., Svoboda, P., Obšilová, V., Obšil, T., and Teisinger, J., Molecular determinants of the agonist binding site of human MT2 melatonin receptor, Materials Structure, 12, 26, 2005

 

 


 

Ukázat publikace

Publikace

2012

  • M. Otyepka, K. Berka, and P. Anzenbacher, „Is There a Relationship Between the Substrate Preferences and Structural
    Flexibility of Cytochromes P450?,“ CURRENT DRUG METABOLISM, vol. 13, iss. 2, pp. 130-142, 2012.
    [Bibtex]
    @article ISI:000300417500002,
    Author = Otyepka, Michal and Berka, Karel and Anzenbacher, Pavel,
    Title = Is There a Relationship Between the Substrate Preferences and Structural
       Flexibility of Cytochromes P450?,
    Journal = CURRENT DRUG METABOLISM,
    Year = 2012,
    Volume = 13,
    Number = 2,
    Pages = 130-142,
    Month = FEB,
    ISSN = 1389-2002,
    Unique-ID = ISI:000300417500002,
    
  • T. Hendrychova, K. Berka, V. Navratilova, P. Anzenbacher, and M. Otyepka, „Dynamics and Hydration of the Active Sites of Mammalian Cytochromes P450
    Probed by Molecular Dynamics Simulations,“ CURRENT DRUG METABOLISM, vol. 13, iss. 2, pp. 177-189, 2012.
    [Bibtex]
    @article ISI:000300417500006,
    Author = Hendrychova, Tereza and Berka, Karel and Navratilova, Veronika and
       Anzenbacher, Pavel and Otyepka, Michal,
    Title = Dynamics and Hydration of the Active Sites of Mammalian Cytochromes P450
       Probed by Molecular Dynamics Simulations,
    Journal = CURRENT DRUG METABOLISM,
    Year = 2012,
    Volume = 13,
    Number = 2,
    Pages = 177-189,
    Month = FEB,
    ISSN = 1389-2002,
    Unique-ID = ISI:000300417500006,
    

2011

  • [DOI] M. Oncak, K. Berka, and P. Slavicek, „Novel Covalent Bond in Proteins: Calculations on Model Systems Question
    the Bond Stability,“ CHEMPHYSCHEM, vol. 12, iss. 17, pp. 3449-3457, 2011.
    [Bibtex]
    @article ISI:000297693200041,
    Author = Oncak, Milan and Berka, Karel and Slavicek, Petr,
    Title = Novel Covalent Bond in Proteins: Calculations on Model Systems Question
       the Bond Stability,
    Journal = CHEMPHYSCHEM,
    Year = 2011,
    Volume = 12,
    Number = 17,
    Pages = 3449-3457,
    Month = DEC 9,
    DOI = 10.1002/cphc.201100664,
    ISSN = 1439-4235,
    Unique-ID = ISI:000297693200041,
    
  • [DOI] K. Berka, T. Hendrychova, P. Anzenbacher, and M. Otyepka, „Membrane Position of Ibuprofen Agrees with Suggested Access Path
    Entrance to Cytochrome P450 2C9 Active Site,“ JOURNAL OF PHYSICAL CHEMISTRY A, vol. 115, iss. 41, pp. 11248-11255, 2011.
    [Bibtex]
    @article ISI:000295700600015,
    Author = Berka, Karel and Hendrychova, Tereza and Anzenbacher, Pavel and Otyepka,
       Michal,
    Title = Membrane Position of Ibuprofen Agrees with Suggested Access Path
       Entrance to Cytochrome P450 2C9 Active Site,
    Journal = JOURNAL OF PHYSICAL CHEMISTRY A,
    Year = 2011,
    Volume = 115,
    Number = 41,
    Pages = 11248-11255,
    Month = OCT 20,
    DOI = 10.1021/jp204488j,
    ISSN = 1089-5639,
    Unique-ID = ISI:000295700600015,
    
  • K. Berka and M. Otyepka, „Insenstivity to Close Contacts and Inability to Predict Protein
    Foldability,“ JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, vol. 28, iss. 4, pp. 633-634, 2011.
    [Bibtex]
    @article ISI:000286482400027,
    Author = Berka, Karel and Otyepka, Michal,
    Title = Insenstivity to Close Contacts and Inability to Predict Protein
       Foldability,
    Journal = JOURNAL OF BIOMOLECULAR STRUCTURE \& DYNAMICS,
    Year = 2011,
    Volume = 28,
    Number = 4,
    Pages = 633-634,
    Month = FEB,
    ISSN = 0739-1102,
    Unique-ID = ISI:000286482400027,
    

2010

  • [DOI] M. Kolar, K. Berka, P. Jurecka, and P. Hobza, „On the Reliability of the AMBER Force Field and its Empirical Dispersion
    Contribution for the Description of Noncovalent Complexes,“ CHEMPHYSCHEM, vol. 11, iss. 11, pp. 2399-2408, 2010.
    [Bibtex]
    @article ISI:000281061500018,
    Author = Kolar, Michal and Berka, Karel and Jurecka, Petr and Hobza, Pavel,
    Title = On the Reliability of the AMBER Force Field and its Empirical Dispersion
       Contribution for the Description of Noncovalent Complexes,
    Journal = CHEMPHYSCHEM,
    Year = 2010,
    Volume = 11,
    Number = 11,
    Pages = 2399-2408,
    Month = AUG 2,
    DOI = 10.1002/cphc.201000109,
    ISSN = 1439-4235,
    Unique-ID = ISI:000281061500018,
    
  • [DOI] K. Berka, R. A. Laskowski, P. Hobza, and J. Vondrasek, „Energy Matrix of Structurally Important Side-Chain/Side-Chain
    Interactions in Proteins,“ JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 6, iss. 7, pp. 2191-2203, 2010.
    [Bibtex]
    @article ISI:000279751500026,
    Author = Berka, Karel and Laskowski, Roman A. and Hobza, Pavel and Vondrasek,
       Jiri,
    Title = Energy Matrix of Structurally Important Side-Chain/Side-Chain
       Interactions in Proteins,
    Journal = JOURNAL OF CHEMICAL THEORY AND COMPUTATION,
    Year = 2010,
    Volume = 6,
    Number = 7,
    Pages = 2191-2203,
    Month = JUL,
    DOI = 10.1021/ct100007y,
    ISSN = 1549-9618,
    Unique-ID = ISI:000279751500026,
    

2009

  • [DOI] K. Berka, P. Hobza, and J. Vondrasek, „Analysis of Energy Stabilization inside the Hydrophobic Core of
    Rubredoxin,“ CHEMPHYSCHEM, vol. 10, iss. 3, pp. 543-548, 2009.
    [Bibtex]
    @article ISI:000264229900014,
    Author = Berka, Karel and Hobza, Pavel and Vondrasek, Jiri,
    Title = Analysis of Energy Stabilization inside the Hydrophobic Core of
       Rubredoxin,
    Journal = CHEMPHYSCHEM,
    Year = 2009,
    Volume = 10,
    Number = 3,
    Pages = 543-548,
    Month = FEB 23,
    DOI = 10.1002/cphc.200800401,
    ISSN = 1439-4235,
    Unique-ID = ISI:000264229900014,
    

2008

  • [DOI] J. Rezac, P. Jurecka, K. E. Riley, J. Cerny, H. Valdes, K. Pluhackova, K. Berka, T. Rezac, M. Pitonak, J. Vondrasek, and P. Hobza, „QUANTUM CHEMICAL BENCHMARK ENERGY AND GEOMETRY DATABASE FOR MOLECULAR
    CLUSTERS AND COMPLEX MOLECULAR SYSTEMS (www.begdb.com): A USERS MANUAL
    AND EXAMPLES,“ COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, vol. 73, iss. 10, pp. 1261-1270, 2008.
    [Bibtex]
    @article ISI:000263121400003,
    Author = Rezac, Jan and Jurecka, Petr and Riley, Kevin E. and Cerny, Jiri and
       Valdes, Haydee and Pluhackova, Kristyna and Berka, Karel and Rezac,
       Tomas and Pitonak, Michal and Vondrasek, Jiri and Hobza, Pavel,
    Title = QUANTUM CHEMICAL BENCHMARK ENERGY AND GEOMETRY DATABASE FOR MOLECULAR
       CLUSTERS AND COMPLEX MOLECULAR SYSTEMS (www.begdb.com): A USERS MANUAL
       AND EXAMPLES,
    Journal = COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS,
    Year = 2008,
    Volume = 73,
    Number = 10,
    Pages = 1261-1270,
    DOI = 10.1135/cccc20081261,
    ISSN = 0010-0765,
    Unique-ID = ISI:000263121400003,