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List of works by Dušan Petrović

Challenges and advances in the computational modeling of biological phosphate hydrolysis

scientific article published on 7 February 2018

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

scientific article published on 27 March 2018

Conformational dynamics and enzyme evolution.

scientific article published in July 2018

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

scientific article published in April 2018

Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase.

scientific article published on 2 April 2018

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

scientific article

How accurately do force fields represent protein side chain ensembles?

scientific article published on 01 September 2018

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

scholarly article by Qinghua Liao et al published 8 November 2018 in Journal of the American Chemical Society

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

scientific article published on 20 February 2020

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

scientific article published in August 2017

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

scientific article published on 9 March 2018

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

The evolution of multiple active site configurations in a designed enzyme

scientific article published in Nature Communications

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