Kulhánek P - Search Results

1

Exploring reaction pathways for O-GlcNAc transferase catalysis. A string method study.

Kumari M, Kozmon S, Kulhánek P, Štepán J, Tvaroška I, Koča J. Kumari M, et al. Among authors: kulhanek p. J Phys Chem B. 2015 Mar 26;119(12):4371-81. doi: 10.1021/jp511235f. Epub 2015 Mar 17. J Phys Chem B. 2015. PMID: 25731954 Free article.

2

A novel mechanism of proton transfer in protonated peptides.

Kulhánek P, Schlag EW, Koca J. Kulhánek P, et al. J Am Chem Soc. 2003 Nov 12;125(45):13678-9. doi: 10.1021/ja035800z. J Am Chem Soc. 2003. PMID: 14599203

3

Molecular dynamics simulations of glycosyltransferase LgtC.

Snajdrová L, Kulhánek P, Imberty A, Koca J. Snajdrová L, et al. Among authors: kulhanek p. Carbohydr Res. 2004 Apr 2;339(5):995-1006. doi: 10.1016/j.carres.2003.12.024. Carbohydr Res. 2004. PMID: 15010307

4

Effect of solvation on pinched cone-pinched cone interconversion of tetraethoxycalix[4]arene and tetraethoxythiacalix[4]arene.

Matousek J, Kulhánek P, Cajan M, Koca J. Matousek J, et al. Among authors: kulhanek p. J Phys Chem A. 2006 Jan 26;110(3):861-7. doi: 10.1021/jp055415r. J Phys Chem A. 2006. PMID: 16419982

5

Non-Watson-Crick base pairing in RNA. quantum chemical analysis of the cis Watson-Crick/sugar edge base pair family.

Sponer JE, Spacková N, Kulhanek P, Leszczynski J, Sponer J. Sponer JE, et al. Among authors: kulhanek p. J Phys Chem A. 2005 Mar 17;109(10):2292-301. doi: 10.1021/jp050132k. J Phys Chem A. 2005. PMID: 16838999

6

Conformations of flanking bases in HIV-1 RNA DIS kissing complexes studied by molecular dynamics.

Réblová K, Fadrná E, Sarzynska J, Kulinski T, Kulhánek P, Ennifar E, Koca J, Sponer J. Réblová K, et al. Among authors: kulhanek p. Biophys J. 2007 Dec 1;93(11):3932-49. doi: 10.1529/biophysj.107.110056. Epub 2007 Aug 17. Biophys J. 2007. PMID: 17704156 Free PMC article.

7

Mechanism of hydrogen-bond array isomerization in tetrahydroxycalix[4]arene and tetrahydroxythiacalix[4]arene.

Matousek J, Cajan M, Kulhánek P, Koca J. Matousek J, et al. Among authors: kulhanek p. J Phys Chem A. 2008 Feb 7;112(5):1076-84. doi: 10.1021/jp710236g. Epub 2008 Jan 9. J Phys Chem A. 2008. PMID: 18181594

8

Molecular dynamics study of Pseudomonas aeruginosa lectin-II complexed with monosaccharides.

Mishra NK, Kulhánek P, Snajdrová L, Petrek M, Imberty A, Koca J. Mishra NK, et al. Among authors: kulhanek p. Proteins. 2008 Jul;72(1):382-92. doi: 10.1002/prot.21935. Proteins. 2008. PMID: 18214968

9

Evaluating boundary dependent errors in QM/MM simulations.

Solt I, Kulhánek P, Simon I, Winfield S, Payne MC, Csányi G, Fuxreiter M. Solt I, et al. Among authors: kulhanek p. J Phys Chem B. 2009 Apr 30;113(17):5728-35. doi: 10.1021/jp807277r. J Phys Chem B. 2009. PMID: 19341253

10

The energy gap as a universal reaction coordinate for the simulation of chemical reactions.

Mones L, Kulhánek P, Simon I, Laio A, Fuxreiter M. Mones L, et al. Among authors: kulhanek p. J Phys Chem B. 2009 Jun 4;113(22):7867-73. doi: 10.1021/jp9000576. J Phys Chem B. 2009. PMID: 19432459

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