- Parallel flexible molecular docking in computational chemistry on high performance computing clusters2015 | Publikace bez příslušnosti k fakultě
- Metal Interactions with Nucleobases, Base Pairs, and Oligomer Sequences; Computational Approach2016 | Matematicko-fyzikální fakulta
- Energy transfer between Si nanocrystals and protoporphyrin molecules as a function of distance, orientation and size2023 | Matematicko-fyzikální fakulta
- Ligand-based 3D QSAR analysis of reactivation potency of mono- and bis-pyridinium aldoximes toward VX-inhibited rat acetylcholinesterase2015 | Publikace bez příslušnosti k fakultě
- Computed Relative Populations of D2(22)-C84 Endohedrals with Encapsulated Monomeric and Dimeric Water2016 | Přírodovědecká fakulta
- Medicinal Chemistry Meets Electrochemistry: Redox Potential in the Role of Endpoint or Molecular Descriptor in QSAR/QSPR2020 | Přírodovědecká fakulta
- Murine homodimeric adhesion/growth-regulatory galectins-1,-2 and -7: comparative profiling of gene/promoter sequences by database mining, of expression by RT-PCR/immunohistochemistry and of contact sites for carbohydrate ligands by computational chemistry2007 | 1. lékařská fakulta
- Murine homodimeric adhesion/growth-regulatory galectins-1,-2 and -7:comparative profiling of gene/promoter sequences by database mining, of expression by RT-PCR/immunohistochemistry and of contact sites for carbohydrate ligands by computational chemistry2007 | Fakulta tělesné výchovy a sportu
- Formation of chelate structure between His-Met dipeptide and diaqua-cisplatin complex; DFT/PCM computational study2018 | Matematicko-fyzikální fakulta
- Metal-assisted Lossen Rearrangement2012 | Přírodovědecká fakulta
- Synthesis and Characterization of a Helicene-Based Imidazolium Salt and Its Application in Organic Molecular Electronics2015 | Ústřední knihovna
- Jahnova-Tellerova analýza trimerů draslíku a rubidia2010 | Matematicko-fyzikální fakulta
- Examination of small molecule losses in 5-methylpyranopelargonidin MS/MS CID spectra by DFT calculations2014 | Přírodovědecká fakulta
- Computational Study of Organometallic Interactions with Models of DNA/RNA and Proteins Using Tools of Quantum Chemistry and Molecular MechanicsPublikace bez příslušnosti k fakultě
- Molecural Models in Chemistry Education at University and Upper-secondary School - Structure of Amides2019 | Ústřední knihovna, Pedagogická fakulta
- Comprehensive Theoretical View of the [Cu2O2] Side-on-Peroxo-/Bis-μ-Oxo Equilibria2022 | Přírodovědecká fakulta, Ústřední knihovna
- Hepatoprotective properties of extensively studied medicinal plant active constituents: Possible common mechanisms2015 | 1. lékařská fakulta
- Enzymatic Synthesis of 3'-5', 3'-5' Cyclic Dinucleotides, Their Binding Properties to the Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations2021 | Přírodovědecká fakulta, Ústřední knihovna
- Accuracy and precision of binding free energy prediction for a tacrine related lead inhibitor of acetylcholinesterase with an arsenal of supercomputerized molecular modelling methods: a comparative study2022 | Publikace bez příslušnosti k fakultě
- Antinociceptive Activity of Chemical Components of Essential Oils That Involves Docking Studies: A Review2020 | Fakulta tělesné výchovy a sportu