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Robert Wieczorek
Robert Wieczorek
University of Wrocław / Uniwersytet Wrocławski
Verified email at wchuwr.pl
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Cited by
Cited by
Year
H-bonding cooperativity and energetics of α-helix formation of five 17-amino acid peptides
R Wieczorek, JJ Dannenberg
Journal of the American Chemical Society 125 (27), 8124-8129, 2003
2092003
Comparison of Fully Optimized α- and 310-Helices with Extended β-Strands. An ONIOM Density Functional Theory Study
R Wieczorek, JJ Dannenberg
Journal of the American Chemical Society 126 (43), 14198-14205, 2004
1112004
Hydrogen-bond cooperativity, vibrational coupling, and dependence of helix stability on changes in amino acid sequence in small 310-helical peptides. A density functional …
R Wieczorek, JJ Dannenberg
Journal of the American Chemical Society 125 (46), 14065-14071, 2003
1112003
Experimental and theoretical UV characterizations of acetylacetone and its isomers
S Coussan, Y Ferro, A Trivella, M Rajzmann, P Roubin, R Wieczorek, ...
The Journal of Physical Chemistry A 110 (11), 3920-3926, 2006
652006
Critical analysis of the calculated frequency shifts of hydrogen-bonded complexes
B Silvi, R Wieczorek, Z Latajka, ME Alikhani, A Dkhissi, Y Bouteiller
The Journal of chemical physics 111 (15), 6671-6678, 1999
611999
Calculation of trans-Hydrogen-Bond 13C−15N Three-Bond and Other Scalar J-Couplings in Cooperative Peptide Models. A Density Functional Theory Study
P Salvador, N Kobko, R Wieczorek, JJ Dannenberg
Journal of the American Chemical Society 126 (43), 14190-14197, 2004
582004
Molecular orbital calculations of water clusters on counterpoise-corrected potential energy surfaces
R Wieczorek, L Haskamp, JJ Dannenberg
The Journal of Physical Chemistry A 108 (32), 6713-6723, 2004
522004
Enthalpies of hydrogen-bonds in α-helical peptides. An ONIOM DFT/AM1 study
R Wieczorek, JJ Dannenberg
Journal of the American Chemical Society 127 (42), 14534-14535, 2005
472005
Halogen bonded complexes between volatile anaesthetics (chloroform, halothane, enflurane, isoflurane) and formaldehyde: a theoretical study
W Zierkiewicz, R Wieczorek, P Hobza, D Michalska
Physical Chemistry Chemical Physics 13 (11), 5105-5113, 2011
462011
Insight into the Coordination and the Binding Sites of Cu2+ by the Histidyl-6-Tag using Experimental and Computational Tools
J Watly, E Simonovsky, R Wieczorek, N Barbosa, Y Miller, H Kozlowski
Inorganic chemistry 53 (13), 6675-6683, 2014
452014
The energetic and structural effects of single amino acid substitutions upon capped α-helical peptides containing 17 amino acid residues. An ONIOM DFT/AM1 study
R Wieczorek, JJ Dannenberg
Journal of the American Chemical Society 127 (49), 17216-17223, 2005
412005
Infrared matrix isolation and ab initio studies on isothiocyanic acid HNCS and its complexes with nitrogen and xenon
M Wierzejewska, R Wieczorek
Chemical physics 287 (1-2), 169-181, 2003
412003
Unexpected impact of the number of glutamine residues on metal complex stability
NM Chiera, M Rowinska-Zyrek, R Wieczorek, R Guerrini, D Witkowska, ...
Metallomics 5 (3), 214-221, 2013
342013
Amide I vibrational frequencies of α-helical peptides based upon ONIOM and density functional theory (DFT) studies
R Wieczorek, JJ Dannenberg
The Journal of Physical Chemistry B 112 (4), 1320-1328, 2008
322008
Α-helical peptides are not protonated at the N-Terminus in the gas phase
R Wieczorek, JJ Dannenberg
Journal of the American Chemical Society 126 (39), 12278-12279, 2004
312004
African viper poly-his tag peptide fragment efficiently binds metal ions and is folded into an α-helical structure
J Watly, E Simonovsky, N Barbosa, M Spodzieja, R Wieczorek, ...
Inorganic chemistry 54 (16), 7692-7702, 2015
292015
Ab initio calculations and matrix infrared spectra of the nitrous acid complexes with HF and HCl
Z Latajka, Z Mielke, A Olbert-Majkut, R Wieczorek, KG Tokhadze
Physical Chemistry Chemical Physics 1 (10), 2441-2448, 1999
291999
Gas-phase fragmentation of oligoproline peptide ions lacking easily mobilizable protons
M Rudowska, R Wieczorek, A Kluczyk, P Stefanowicz, Z Szewczuk
Journal of The American Society for Mass Spectrometry 24 (6), 846-856, 2013
262013
Direct Calculation of trans-Hydrogen-Bond 13C-15N 3-Bond J-Couplings in Entire Polyalanine α-Helices. A Density Functional Theory Study
P Salvador, R Wieczorek, JJ Dannenberg
The Journal of Physical Chemistry B 111 (9), 2398-2403, 2007
262007
Matrix infrared spectra and ab initio calculations of the nitrous acid complexes with nitrogen monoxide
Z Mielke, Z Latajka, A Olbert-Majkut, R Wieczorek
The Journal of Physical Chemistry A 104 (16), 3764-3769, 2000
262000
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