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Conformational dynamics and enzyme evolution

Journal of the Royal Society interface, 2018-07, Vol.15 (144), p.20180330

2018

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Short and simple sequences favored the emergence of N-helix phospho-ligand binding sites in the first enzymes

Proceedings of the National Academy of Sciences - PNAS, 2020-03, Vol.117 (10), p.5310-5318

2020

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Loop Motion in Triosephosphate Isomerase Is Not a Simple Open and Shut Case

Journal of the American Chemical Society, 2018-11, Vol.140 (46), p.15889-15903

2018

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Molecular modeling of conformational dynamics and its role in enzyme evolution

Current opinion in structural biology, 2018-10, Vol.52, p.50-57

2018

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Simulation-Guided Design of Cytochrome P450 for Chemo- and Regioselective Macrocyclic Oxidation

Journal of chemical information and modeling, 2018-04, Vol.58 (4), p.848-858

2018

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Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase

ACS catalysis, 2017-09, Vol.7 (9), p.6188-6197

2017

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Virtual Screening in the Cloud Identifies Potent and Selective ROS1 Kinase Inhibitors

Journal of chemical information and modeling, 2022-08, Vol.62 (16), p.3832-3843

2022

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Virtual Screening Expands the Non-Natural Amino Acid Palette for Peptide Optimization

Journal of chemical information and modeling, 2022-06, Vol.62 (12), p.2999-3007

2022

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How accurately do force fields represent protein side chain ensembles?

Proteins, structure, function, and bioinformatics, 2018-09, Vol.86 (9), p.935-944

2018

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Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase

Nature communications, 2021-01, Vol.12 (1), p.380-380, Article 380

2021

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The evolution of multiple active site configurations in a designed enzyme

Nature communications, 2018-09, Vol.9 (1), p.3900-10, Article 3900

2018

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Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches

Journal of medicinal chemistry, 2024-06, Vol.67 (11), p.8962-8987

2024

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Enzyme Architecture: Modeling the Operation of a Hydrophobic Clamp in Catalysis by Triosephosphate Isomerase

Journal of the American Chemical Society, 2017-08, Vol.139 (30), p.10514-10525

2017

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Challenges and advances in the computational modeling of biological phosphate hydrolysis

Chemical communications (Cambridge, England), 2018, Vol.54 (25), p.377-389

2018

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Conformational Sampling of the Intrinsically Disordered C‑Terminal Tail of DERA Is Important for Enzyme Catalysis

ACS catalysis, 2018-05, Vol.8 (5), p.3971-3984

2018

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Interaction of carbohydrate-binding modules with poly(ethylene terephthalate)

Applied microbiology and biotechnology, 2019-06, Vol.103 (12), p.4801-4812

2019

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DNP-Enhanced MAS NMR: A Tool to Snapshot Conformational Ensembles of α-Synuclein in Different States

Biophysical journal, 2018-04, Vol.114 (7), p.1614-1623

2018

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Stereo- and Regioselectivity in Catalyzed Transformation of a 1,2-Disubstituted Vicinal Diol and the Corresponding Diketone by Wild Type and Laboratory Evolved Alcohol Dehydrogenases

ACS catalysis, 2018-08, Vol.8 (8), p.7526-7538

2018

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One-Pot, Two-Step Hydroxylation of the Macrocyclic Diterpenoid β-Cembrenediol Catalyzed by P450 BM3 Mutants

ChemCatChem, 2016-12, Vol.8 (24), p.3755-3761

2016

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Ambulatory Blood Pressure in Relation to Plasma and Urinary Manganese

Hypertension (Dallas, Tex. 1979), 2020-04, Vol.75 (4), p.1133-1139

2020

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Structural Studies of Autophagy-Related Proteins

Methods in molecular biology (Clifton, N.J.), 2019, Vol.1880, p.17

2019

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Matematički elementi orijentacijskih karata

Kartografija i geoinformacije, 2023-01, Vol.21 (izv. / spec.), p.126

Petrovič, Dušan

2023

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Asymptomatic “twig-like” middle cerebral artery embryological anomaly

Srpski arhiv za celokupno lekarstvo, 2021-11, Vol.149 (11-12), p.722-724

2021

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Structure and Dynamics of Human Chemokine CCL16—Implications for Biological Activity

Biomolecules (Basel, Switzerland), 2022-10, Vol.12 (11), p.1588

2022

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Modeling Human Serum Albumin Tertiary Structure To Teach Upper-Division Chemistry Students Bioinformatics and Homology Modeling Basics

Journal of chemical education, 2015-07, Vol.92 (7), p.1233-1237

2015

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Conformational dynamics and enzyme evolution

Short and simple sequences favored the emergence of N-helix phospho-ligand binding sites in the first enzymes

Loop Motion in Triosephosphate Isomerase Is Not a Simple Open and Shut Case

Molecular modeling of conformational dynamics and its role in enzyme evolution

Simulation-Guided Design of Cytochrome P450 for Chemo- and Regioselective Macrocyclic Oxidation

Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase

Virtual Screening in the Cloud Identifies Potent and Selective ROS1 Kinase Inhibitors

Virtual Screening Expands the Non-Natural Amino Acid Palette for Peptide Optimization

How accurately do force fields represent protein side chain ensembles?

Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase

The evolution of multiple active site configurations in a designed enzyme

Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches

Enzyme Architecture: Modeling the Operation of a Hydrophobic Clamp in Catalysis by Triosephosphate Isomerase

Challenges and advances in the computational modeling of biological phosphate hydrolysis

Conformational Sampling of the Intrinsically Disordered C‑Terminal Tail of DERA Is Important for Enzyme Catalysis

Interaction of carbohydrate-binding modules with poly(ethylene terephthalate)

DNP-Enhanced MAS NMR: A Tool to Snapshot Conformational Ensembles of α-Synuclein in Different States

Stereo- and Regioselectivity in Catalyzed Transformation of a 1,2-Disubstituted Vicinal Diol and the Corresponding Diketone by Wild Type and Laboratory Evolved Alcohol Dehydrogenases

One-Pot, Two-Step Hydroxylation of the Macrocyclic Diterpenoid β-Cembrenediol Catalyzed by P450 BM3 Mutants

Ambulatory Blood Pressure in Relation to Plasma and Urinary Manganese

Structural Studies of Autophagy-Related Proteins

Matematički elementi orijentacijskih karata

Asymptomatic “twig-like” middle cerebral artery embryological anomaly

Structure and Dynamics of Human Chemokine CCL16—Implications for Biological Activity

Modeling Human Serum Albumin Tertiary Structure To Teach Upper-Division Chemistry Students Bioinformatics and Homology Modeling Basics

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