List of works - Simona Golič Grdadolnik

5-Benzylidenethiazolidin-4-ones as Multitarget Inhibitors of Bacterial Mur Ligases

scholarly article by Tihomir Tomašić et al published 1 February 2010 in ChemMedChem

A combined NMR and molecular dynamics simulation study to determine the conformational properties of rat/mouse 35-55 myelin oligodendrocyte glycoprotein epitope implicated in the induction of experimental autoimmune encephalomyelitis.

scientific article

Antihypertensive drug valsartan in solution and at the AT1 receptor: conformational analysis, dynamic NMR spectroscopy, in silico docking, and molecular dynamics simulations

scientific article published in March 2009

Apigenin-7-O-glucoside versus apigenin: Insight into the modes of anticandidal and cytotoxic actions.

scientific article

Biologically relevant conformational features of linear and cyclic proteolipid protein (PLP) peptide analogues obtained by high-resolution nuclear magnetic resonance and molecular dynamics.

scientific article published on 29 July 2017

Characterization of Asparagine Deamidation in Immunodominant Myelin Oligodendrocyte Glycoprotein Peptide Potential Immunotherapy for the Treatment of Multiple Sclerosis

scientific article published on 13 October 2020

Comparative Binding Effects of Aspirin and Anti-Inflammatory Cu Complex in the Active Site of LOX-1

scientific article published on 15 November 2012

Conformational analysis of the ΜΒΡ83-99 (Phe91) and ΜΒΡ83-99 (Tyr91) peptide analogues and study of their interactions with the HLA-DR2 and human TCR receptors by using molecular dynamics

scientific article published on 06 September 2011

Corrigendum to “Thermal, dynamic and structural properties of drug AT1 antagonist olmesartan in lipid bilayers” [Biochim. Biophys. Acta 1808 (2011) 2995–3006]

scientific article published in May 2012

Electrostatic screening and backbone preferences of amino acid residues in urea-denatured ubiquitin

scientific article

Evaluation of Selected CYP51A1 Polymorphisms in View of Interactions with Substrate and Redox Partner

scientific article

Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC-MurF): experimental and computational characterization

scientific article published on 8 April 2015

In silico fragment-based discovery of indolin-2-one analogues as potent DNA gyrase inhibitors

scientific article published on 3 October 2005

Insights into the molecular basis of action of the AT1 antagonist losartan using a combined NMR spectroscopy and computational approach

scientific article

Novel 2-thioxothiazolidin-4-one inhibitors of bacterial MurD ligase targeting D-Glu- and diphosphate-binding sites

scientific article

Polymorphisms of CYP51A1 from cholesterol synthesis: associations with birth weight and maternal lipid levels and impact on CYP51 protein structure.

scientific article

Rational design, efficient syntheses and biological evaluation of N,N'-symmetrically bis-substituted butylimidazole analogs as a new class of potent Angiotensin II receptor blockers

scientific article published on 2 January 2013

Second-generation sulfonamide inhibitors of D-glutamic acid-adding enzyme: activity optimisation with conformationally rigid analogues of D-glutamic acid

scientific article

Stability and binding effects of silver(I) complexes at lipoxygenase-1

Synthesis and study of a cyclic angiotensin II antagonist analogue reveals the role of pi--pi interactions in the C-terminal aromatic residue for agonist activity and its structure resemblance with AT(1) non-peptide antagonists.

scientific article published in June 2001

The binding mode of second-generation sulfonamide inhibitors of MurD: clues for rational design of potent MurD inhibitors

scientific article

Thermal, dynamic and structural properties of drug AT1 antagonist olmesartan in lipid bilayers

scientific article published on 6 August 2011

Unveiling the interaction profile of rosmarinic acid and its bioactive substructures with serum albumin

scientific article published on 01 December 2020

Vancomycin: Conformational Consequences of the Sugar Substituent ⬇️

scientific article published on June 4, 1998

List of works by Simona Golič Grdadolnik

5-Benzylidenethiazolidin-4-ones as Multitarget Inhibitors of Bacterial Mur Ligases

A combined NMR and molecular dynamics simulation study to determine the conformational properties of rat/mouse 35-55 myelin oligodendrocyte glycoprotein epitope implicated in the induction of experimental autoimmune encephalomyelitis.

Antihypertensive drug valsartan in solution and at the AT1 receptor: conformational analysis, dynamic NMR spectroscopy, in silico docking, and molecular dynamics simulations

Apigenin-7-O-glucoside versus apigenin: Insight into the modes of anticandidal and cytotoxic actions.

Biologically relevant conformational features of linear and cyclic proteolipid protein (PLP) peptide analogues obtained by high-resolution nuclear magnetic resonance and molecular dynamics.

Characterization of Asparagine Deamidation in Immunodominant Myelin Oligodendrocyte Glycoprotein Peptide Potential Immunotherapy for the Treatment of Multiple Sclerosis

Comparative Binding Effects of Aspirin and Anti-Inflammatory Cu Complex in the Active Site of LOX-1

Conformational analysis of the ΜΒΡ83-99 (Phe91) and ΜΒΡ83-99 (Tyr91) peptide analogues and study of their interactions with the HLA-DR2 and human TCR receptors by using molecular dynamics

Corrigendum to “Thermal, dynamic and structural properties of drug AT1 antagonist olmesartan in lipid bilayers” [Biochim. Biophys. Acta 1808 (2011) 2995–3006]

Electrostatic screening and backbone preferences of amino acid residues in urea-denatured ubiquitin

Evaluation of Selected CYP51A1 Polymorphisms in View of Interactions with Substrate and Redox Partner

Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC-MurF): experimental and computational characterization

In silico fragment-based discovery of indolin-2-one analogues as potent DNA gyrase inhibitors

Insights into the molecular basis of action of the AT1 antagonist losartan using a combined NMR spectroscopy and computational approach

Novel 2-thioxothiazolidin-4-one inhibitors of bacterial MurD ligase targeting D-Glu- and diphosphate-binding sites

Polymorphisms of CYP51A1 from cholesterol synthesis: associations with birth weight and maternal lipid levels and impact on CYP51 protein structure.

Rational design, efficient syntheses and biological evaluation of N,N'-symmetrically bis-substituted butylimidazole analogs as a new class of potent Angiotensin II receptor blockers

Second-generation sulfonamide inhibitors of D-glutamic acid-adding enzyme: activity optimisation with conformationally rigid analogues of D-glutamic acid

Stability and binding effects of silver(I) complexes at lipoxygenase-1

Synthesis and study of a cyclic angiotensin II antagonist analogue reveals the role of pi*--pi* interactions in the C-terminal aromatic residue for agonist activity and its structure resemblance with AT(1) non-peptide antagonists.

The binding mode of second-generation sulfonamide inhibitors of MurD: clues for rational design of potent MurD inhibitors

Thermal, dynamic and structural properties of drug AT1 antagonist olmesartan in lipid bilayers

Unveiling the interaction profile of rosmarinic acid and its bioactive substructures with serum albumin

Vancomycin: Conformational Consequences of the Sugar Substituent ⬇️

Synthesis and study of a cyclic angiotensin II antagonist analogue reveals the role of pi--pi interactions in the C-terminal aromatic residue for agonist activity and its structure resemblance with AT(1) non-peptide antagonists.