Search filters

List of works by Małgorzata A Broda

Conformational investigation of alpha, beta-dehydropeptides. XI. Molecular and crystal structure of Ac-(Z)-deltaPhe-NMe2 as compared to those of related molecules.

scientific article published in January 2003

Conformational investigation of alpha,beta-dehydropeptides. N-acetyl-(E)-dehydrophenylalanine N'-methylamide: conformational properties from infrared and theoretical studies, part XIV.

scientific article published in April 2005

Conformational investigation of alpha,beta-dehydropeptides. XV: N-acetyl-alpha,beta-dehydroamino acid N 'N '-dimethylamides: conformational properties from infrared and theoretical studies

scientific article published on 01 September 2005

Conformational investigation of alpha,beta-dehydropeptides. XVI. Beta-turn tendency in Ac-Pro-DeltaXaa-NHMe: crystallographic and theoretical studies

scientific article published on 01 August 2006

Conformational preferences and synthesis of isomers Z and E of oxazole-dehydrophenylalanine

scientific article published on 01 May 2016

Conformational properties of oxazole-amino acids: effect of the intramolecular N-H···N hydrogen bond

scientific article published on 25 February 2014

Convergence of nuclear magnetic shieldings and one-bond 1 J(11 B1 H) indirect spin-spin coupling constants in small boron molecules

scientific article published on 23 January 2018

DFT studies on the structural and vibrational properties of polyenes

scientific article published on 6 April 2016

Effect of tin and lead chlorotriphenyl analogues on selected living cells.

scientific article published on 10 December 2010

Effects of side-chain orientation on the backbone conformation of the dehydrophenylalanine residue. Theoretical and X-ray study

scientific article published on 28 March 2011

Estimating the carbonyl anharmonic vibrational frequency from affordable harmonic frequency calculations

scientific article published on 21 October 2011

Estimation of formamide harmonic and anharmonic modes in the Kohn-Sham limit using the polarization consistent basis sets ⬇️

scientific article published on January 26, 2011

Experimental and theoretical NMR and IR studies of the side-chain orientation effects on the backbone conformation of dehydrophenylalanine residue

scientific article published on 20 April 2011

Experimental and theoretical NMR studies of interaction between phenylalanine derivative and egg yolk lecithin

scientific article published on 18 March 2014

Extrapolation of water and formaldehyde harmonic and anharmonic frequencies to the B3LYP/CBS limit using polarization consistent basis sets ⬇️

scientific article published on December 14, 2010

Geometrical and conformational preferences of the 9-fluorenylmethoxycarbonyl-amino moiety.

scientific article

Interactions of amino acids with aluminum octacarboxyphthalocyanine hydroxide. Experimental and DFT studies

scientific article

Interactions of zinc octacarboxyphthalocyanine with selected amino acids and with albumin

scientific article published on 03 November 2015

Metalloporphyrin intercalation in liposome membranes: ESR study.

scientific article

Method and basis set dependence of the NICS indexes of aromaticity for benzene.

scientific article

On Complex Formation between 5-Fluorouracil and β-Cyclodextrin in Solution and in the Solid State: IR Markers and Detection of Short-Lived Complexes by Diffusion NMR

scientific article published on 03 December 2020

Orthorhombic polymorphs of two trans-4-aminoazoxybenzenes.

scientific article published on 10 August 2002

Predicting the structure and vibrational frequencies of ethylene using harmonic and anharmonic approaches at the Kohn-Sham complete basis set limit.

scientific article

Pyrazole amino acids: hydrogen bonding directed conformations of 3-amino-1H-pyrazole-5-carboxylic acid residue.

scientific article published on 13 June 2017

Solvent effects on the conformational preferences of model peptoids. MP2 study.

scientific article published on 21 January 2014

Structural and molecular characterization of meso-substituted zinc porphyrins: a DFT supported study

scientific article published on 01 December 2011

The cis-trans isomerization of N-methyl-α,β-dehydroamino acids

scientific article published on 01 January 2012

The conformational properties of α,β-dehydroamino acids with a C-terminal ester group

scientific article published on 01 August 2011

The impact of model peptides on structural and dynamic properties of egg yolk lecithin liposomes - experimental and DFT studies.

scientific article

The influence of solvent on conformational properties of peptides with Aib residue-a DFT study.

scientific article published on 21 November 2017

The synthesis, structure and properties of N-acetylated derivatives of ethyl 3-amino-1H-pyrazole-4-carboxylate

scientific article published on 01 May 2007

Toward engineering efficient peptidomimetics. Screening conformational landscape of two modified dehydroaminoacids.

scientific article published in January 2014

What is the form of muscimol from fly agaric mushroom (Amanita muscaria) in water? An insight from NMR experiment supported by molecular modeling

scientific article published on 07 January 2020

β-turn tendency in N-methylated peptides with dehydrophenylalanine residue: DFT study.

scientific article

Paulina is supported by:

About Paulina

Help