- The structure of metallo-DNA with consecutive T-HgII-T base-pairs ex-plains positive reaction entropy for the metallo-base-pair formation2014 | Matematicko-fyzikální fakulta
- Catalytic Effects of Mutations of Distant Protein Residues in Human DNA Polymerase beta: Theory and Experiment2012 | Přírodovědecká fakulta
- Can All-Atom Molecular Dynamics Simulations Quantitatively Describe Homeodomain-DNA Binding Equilibria?2019 | Přírodovědecká fakulta, Ústřední knihovna
- Flexible docking-based molecular dynamics/steered molecular dynamics calculations of protein-protein contacts in a complex of cytochrome P450 1A2 with cytochrome b52014 | Přírodovědecká fakulta
- Towards operando computational modeling in heterogeneous catalysis2018 | Přírodovědecká fakulta
- Assessing the Accuracy and Performance of Implicit Solvent Models for Drug Molecules: Conformational Ensemble Approaches2013 | Přírodovědecká fakulta
- Phosphorene: A promising metal free cathode material for proton exchange membrane fuel cell2019 | Přírodovědecká fakulta
- In Silico Studies of Potential Selective Inhibitors of Thymidylate Kinase from Variola virus2021 | Lékařská fakulta v Hradci Králové
- Modulation of Aldose Reductase Inhibition by Halogen Bond Tuning2013 | Přírodovědecká fakulta
- Molecular dynamics simulation and binding free energy studies of novel leads belonging to the benzofuran class inhibitors of Mycobacterium tuberculosis Polyketide Synthase 132019 | Publikace bez příslušnosti k fakultě
- IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors2016 | Přírodovědecká fakulta
- Spectroscopic studies of interactions of 2-(2-Oxo-2-Phenylethyl)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide with human DNA2019 | Přírodovědecká fakulta