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2020 – today
- 2024
[j13]Matic Broz
, Chris Oostenbrink, Urban Bren:
The Effect of Microwaves on Protein Structure: Molecular Dynamics Approach. J. Chem. Inf. Model. 64(6): 2077-2083 (2024)- 2023
- [j12]Samo Lesnik, Urban Bren, Tatiana Domratcheva, Ana-Nicoleta Bondar:
Fentanyl and the Fluorinated Fentanyl Derivative NFEPP Elicit Distinct Hydrogen-Bond Dynamics of the Opioid Receptor. J. Chem. Inf. Model. 63(15): 4732-4748 (2023) - [j11]Vid Ravnik, Marko Jukic, Urban Bren:
Identifying Metal Binding Sites in Proteins Using Homologous Structures, the MADE Approach. J. Chem. Inf. Model. 63(16): 5204-5219 (2023) - 2022
- [j10]Jelena Tosovic, Domagoj Fijan, Marko Jukic, Urban Bren:
Conserved Water Networks Identification for Drug Design Using Density Clustering Approaches on Positional and Orientational Data. J. Chem. Inf. Model. 62(23): 6105-6117 (2022) - 2021
- [j9]Thomas Giannos, Samo Lesnik, Urban Bren, Milan Hodoscek, Tatiana Domratcheva, Ana-Nicoleta Bondar:
CHARMM Force-Field Parameters for Morphine, Heroin, and Oliceridine, and Conformational Dynamics of Opioid Drugs. J. Chem. Inf. Model. 61(8): 3964-3977 (2021) - [c2]Marko Jukic, Sebastjan Kralj, Natalia Nikitina, Urban Bren:
Bioinformatic and MD Analysis of N501Y SARS-CoV-2 (UK) Variant. ANTICOVID 2021: 1-13 - 2020
- [j8]Samo Lesnik, Milan Hodoscek, Urban Bren, Christoph Stein, Ana-Nicoleta Bondar:
Potential Energy Function for Fentanyl-Based Opioid Pain Killers. J. Chem. Inf. Model. 60(7): 3566-3576 (2020)
2010 – 2019
- 2019
- [j7]Katarina Kores, Samo Lesnik, Urban Bren, Dusanka Janezic, Janez Konc:
Discovery of Novel Potential Human Targets of Resveratrol by Inverse Molecular Docking. J. Chem. Inf. Model. 59(5): 2467-2478 (2019) - 2017
- [j6]Samo Lesnik, Blaz Skrlj, Nika Erzen, Urban Bren, Stanislav Gobec, Janez Konc, Dusanka Janezic:
BoBER: web interface to the base of bioisosterically exchangeable replacements. J. Cheminformatics 9(1): 62:1-62:8 (2017) - 2015
- [c1]Tibor Kuna, Urban Bren:
Carcinogenesis induced by Aflatoxin B1: A computational study. BIBE 2015: 1-2 - 2014
- [j5]Michael M. H. Graf, Zhixiong Lin, Urban Bren, Dietmar Haltrich, Wilfred F. van Gunsteren, Chris Oostenbrink:
Pyranose Dehydrogenase Ligand Promiscuity: A Generalized Approach to Simulate Monosaccharide Solvation, Binding, and Product Formation. PLoS Comput. Biol. 10(12) (2014) - 2013
- [j4]Michael M. H. Graf, Urban Bren, Dietmar Haltrich, Chris Oostenbrink:
Molecular dynamics simulations give insight into d-glucose dioxidation at C2 and C3 by Agaricus meleagris pyranose dehydrogenase. J. Comput. Aided Mol. Des. 27(4): 295-304 (2013) - 2012
- [j3]Urban Bren, Chris Oostenbrink:
Cytochrome P450 3A4 Inhibition by Ketoconazole: Tackling the Problem of Ligand Cooperativity Using Molecular Dynamics Simulations and Free-Energy Calculations. J. Chem. Inf. Model. 52(6): 1573-1582 (2012)
2000 – 2009
- 2009
- [j2]Thanyarat Udommaneethanakit, Thanyada Rungrotmongkol, Urban Bren, Vladimir Frecer, Stanislav Miertus:
Dynamic Behavior of Avian Influenza A Virus Neuraminidase Subtype H5N1 in Complex with Oseltamivir, Zanamivir, Peramivir, and Their Phosphonate Analogues. J. Chem. Inf. Model. 49(10): 2323-2332 (2009) - 2005
- [j1]Urban Bren, Milan Hodoscek, Joze Koller:
Development and Validation of Empirical Force Field Parameters for Netropsin. J. Chem. Inf. Model. 45(6): 1546-1552 (2005)
Coauthor Index
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