Dušan Petrović

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 12

Top Venues

Journal of chemical information and modeling

Journal of medicinal chemistry

Journal of the American Chemical Society

Proceedings of the National Academy of Sciences of the United States of America

Uppsala University

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Uppsala University Nov 01 2017

Sweden

Researcher :: Department of Cell and Molecular Biology

Forschungszentrum Jülich - Oct 31 2017

Germany

Doctoral researcher :: Institute of Complex Systems: Structural Biochemistry

Publications

Luca Carlino, Peter C Astles, Bryony Ackroyd, Afshan Ahmed, Christina Chan, Gavin W Collie, Ian L Dale, Daniel H O' Donovan, Caroline Fawcett, Paolo di Fruscia, Andrea Gohlke, Xiaoxiao Guo, Jessie Hao-Ru Hsu, Bethany Kaplan, Alexander G Milbradt, Sarah Northall, Dušan Petrović, Emma L Rivers, Elizabeth Underwood, Alice Webb
Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. Journal of medicinal chemistry (2024)
Luca Carlino, Peter C Astles, Bryony Ackroyd, Afshan Ahmed, Christina Chan, Gavin W Collie, Ian L Dale, Daniel H O' Donovan, Caroline Fawcett, Paolo di Fruscia, Andrea Gohlke, Xiaoxiao Guo, Jessie Hao-Ru Hsu, Bethany Kaplan, Alexander G Milbradt, Sarah Northall, Dušan Petrović, Emma L Rivers, Elizabeth Underwood, Alice Webb
Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. Journal of medicinal chemistry 67 (11) (2024)
Dušan Petrović, James S Scott, Michael S Bodnarchuk, Olivier Lorthioir, Scott Boyd, George M Hughes, Jordan Lane, Allan Wu, David Hargreaves, James Robinson, Jens Sadowski
Virtual Screening in the Cloud Identifies Potent and Selective ROS1 Kinase Inhibitors. Journal of chemical information and modeling 62 (16) (2022)
Kosala N Amarasinghe, Leonardo De Maria, Christian Tyrchan, Leif A Eriksson, Jens Sadowski, Dušan Petrović
Virtual Screening Expands the Non-Natural Amino Acid Palette for Peptide Optimization. Journal of chemical information and modeling 62 (12) (2022)
Liam M Longo, Dušan Petrović, Shina Caroline Lynn Kamerlin, Dan S Tawfik
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 of the United States of America 117 (10) (2020)
Dušan Petrović, Valeria A Risso, Shina Caroline Lynn Kamerlin, Jose M Sanchez-Ruiz
Conformational dynamics and enzyme evolution. Journal of the Royal Society, Interface 15 (144) (2019)
Dušan Petrović, Xue Wang, Birgit Strodel
How accurately do force fields represent protein side chain ensembles? Proteins 86 (9) (2019)
Qinghua Liao, Yashraj Kulkarni, Ushnish Sengupta, Dušan Petrović, Adrian J Mulholland, Marc W Van der Kamp, Birgit Strodel, Shina Caroline Lynn Kamerlin
Loop Motion in Triosephosphate Isomerase Is Not a Simple Open and Shut Case. Journal of the American Chemical Society 140 (46) (2018)
Dušan Petrović, Klaudia Szeler, Shina Caroline Lynn Kamerlin
Challenges and advances in the computational modeling of biological phosphate hydrolysis. Chemical communications (Cambridge, England) 54 (25) (2018)
Nan-Sook Hong, Dušan Petrović, Richmond Lee, Ganna Gryn'ova, Miha Purg, Jake Saunders, Paul Bauer, Paul D Carr, Ching-Yeh Lin, Peter D Mabbitt, William H Zhang, Timothy Altamore, Christopher J Easton, Michelle L Coote, Shina Caroline Lynn Kamerlin, Colin J Jackson
The evolution of multiple active site configurations in a designed enzyme. Nature communications 9 (1) (2018)
Dušan Petrović, Ansgar Bokel, Matthew Allan, Vlada B Urlacher, Birgit Strodel
Simulation-Guided Design of Cytochrome P450 for Chemo- and Regioselective Macrocyclic Oxidation. Journal of chemical information and modeling 58 (4) (2018)
Yashraj S Kulkarni, Qinghua Liao, Dušan Petrović, Dennis M Krüger, Birgit Strodel, Tina L Amyes, John P Richard, Shina Caroline Lynn Kamerlin
Enzyme Architecture: Modeling the Operation of a Hydrophobic Clamp in Catalysis by Triosephosphate Isomerase. Journal of the American Chemical Society 139 (30) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Dušan Petrović