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Iva Lukac

Showing results (1-10 of 14) with videos related to

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Molecular Informatics|August 5, 2016
Designing Hydroxamates and Reversed Hydroxamates to Inhibit Zinc-containing Proteases but not Cytochrome P450s: Insights from Quantum Mechanics and Protein-ligand Crystal StructuresCharlotte Barker, Iva Lukac, Andrew G Leach
ACS Omega|May 8, 2023
SophosQM: Accurate Binding Affinity Prediction in Compound OptimizationRiccardo Guareschi, Iva Lukac, Ian H Gilbert, et al.
Journal of Computer-Aided Molecular Design|August 30, 2021
Ligand binding: evaluating the contribution of the water molecules network using the Fragment Molecular Orbital methodIva Lukac, Paul G Wyatt, Ian H Gilbert, et al.
Materia Socio-Medica|May 26, 2015
Resistant hypertension and chronotherapyIngrid Prkacin, Diana Balenovic, Vesna Djermanovic-Dobrota, et al.
Chemical Science|March 19, 2019
Predicting protein-ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase AIva Lukac, Hend Abdelhakim, Richard A Ward, et al.
Plos One|July 8, 2014
Structural basis of protein oxidation resistance: a lysozyme studyMarion Girod, Quentin Enjalbert, Claire Brunet, et al.
Journal of Chemical Information and Modeling|October 3, 2017
Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of PairsIva Lukac, Joanna Zarnecka, Edward J Griffen, et al.
Journal of Chemical Information and Modeling|March 23, 2021
Mapping Ligand-Shape Space for Protein-Ligand Systems: Distinguishing Key-in-Lock and Hand-in-Glove ProteinsJoanna Zarnecka, Iva Lukac, Stephen J Messham, et al.
Chembiochem : a European Journal of Chemical Biology|April 17, 2026
Accessing New Phenanthroline-Oxazine Scaffolds as Copper-Dependent DNA Damaging ProbesRebecca Lynn, Alex Gibney, Eva Delahunt, et al.
Proceedings of the National Academy of Sciences of the United States of America|September 7, 2018
Clinical and veterinary trypanocidal benzoxaboroles target CPSF3Richard J Wall, Eva Rico, Iva Lukac, et al.
Pageof 2

Showing results (1-10 of 14) with videos related to

Sort By:
Pageof 2
Molecular Informatics|August 5, 2016
Designing Hydroxamates and Reversed Hydroxamates to Inhibit Zinc-containing Proteases but not Cytochrome P450s: Insights from Quantum Mechanics and Protein-ligand Crystal StructuresCharlotte Barker, Iva Lukac, Andrew G Leach
ACS Omega|May 8, 2023
SophosQM: Accurate Binding Affinity Prediction in Compound OptimizationRiccardo Guareschi, Iva Lukac, Ian H Gilbert, et al.
Journal of Computer-Aided Molecular Design|August 30, 2021
Ligand binding: evaluating the contribution of the water molecules network using the Fragment Molecular Orbital methodIva Lukac, Paul G Wyatt, Ian H Gilbert, et al.
Materia Socio-Medica|May 26, 2015
Resistant hypertension and chronotherapyIngrid Prkacin, Diana Balenovic, Vesna Djermanovic-Dobrota, et al.
Chemical Science|March 19, 2019
Predicting protein-ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase AIva Lukac, Hend Abdelhakim, Richard A Ward, et al.
Plos One|July 8, 2014
Structural basis of protein oxidation resistance: a lysozyme studyMarion Girod, Quentin Enjalbert, Claire Brunet, et al.
Journal of Chemical Information and Modeling|October 3, 2017
Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of PairsIva Lukac, Joanna Zarnecka, Edward J Griffen, et al.
Journal of Chemical Information and Modeling|March 23, 2021
Mapping Ligand-Shape Space for Protein-Ligand Systems: Distinguishing Key-in-Lock and Hand-in-Glove ProteinsJoanna Zarnecka, Iva Lukac, Stephen J Messham, et al.
Chembiochem : a European Journal of Chemical Biology|April 17, 2026
Accessing New Phenanthroline-Oxazine Scaffolds as Copper-Dependent DNA Damaging ProbesRebecca Lynn, Alex Gibney, Eva Delahunt, et al.
Proceedings of the National Academy of Sciences of the United States of America|September 7, 2018
Clinical and veterinary trypanocidal benzoxaboroles target CPSF3Richard J Wall, Eva Rico, Iva Lukac, et al.
Pageof 2