- Parallel flexible molecular docking in computational chemistry on high performance computing clusters2015 | Publikace bez příslušnosti k fakultě
- Acetylcholinesterase-Inhibiting Activity of Salicylanilide N-Alkylcarbamates and Their Molecular Docking2012 | Farmaceutická fakulta v Hradci Králové
- Novel Group of AChE Reactivators-Synthesis, In Vitro Reactivation and Molecular Docking Study2018 | Publikace bez příslušnosti k fakultě
- Searching for new antimicrobial agents by targeting bacterial nad metabolism: evaluation of frentizole derivatives selected by molecular docking2020 | Publikace bez příslušnosti k fakultě
- Spectroscopic, quantum chemical studies, Fukui functions, in vitro antiviral activity and molecular docking of 5-chloro-N-(3-nitrophenyl) pyrazine-2-carboxamide2016 | Farmaceutická fakulta v Hradci Králové
- Plugging the explicit sigma-holes in molecular docking2013 | Přírodovědecká fakulta
- Exploring the Synthetic Chemistry of Phenyl-3-(5-aryl-2-furyl)-2-propen-1-ones as Urease Inhibitors: Mechanistic Approach through Urease Inhibition, Molecular Docking and Structure-Activity Relationship2023 | Farmaceutická fakulta v Hradci Králové
- Synthesis, in vitro screening and molecular docking of isoquinolinium-5-carbaldoximes as acetylcholinesterase and butyrylcholinesterase reactivators2020 | Publikace bez příslušnosti k fakultě
- Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach2024 | Přírodovědecká fakulta, Ústřední knihovna
- Spectroscopic investigations, concentration dependent SERS, and molecular docking studies of a hydroxybenzylidene derivative2022 | Farmaceutická fakulta v Hradci Králové
- Spectroscopic investigations, concentration dependent SERS, and molecular docking studies of a benzoic acid derivative2021 | Farmaceutická fakulta v Hradci Králové
- Concentration dependent SERS, DFT and molecular docking studies of a ureido derivative with antitubercular properties2021 | Farmaceutická fakulta v Hradci Králové
- Chalcones and their pyrazine analogs: synthesis, inhibition of aldose reductase, antioxidant activity, and molecular docking study2018 | Farmaceutická fakulta v Hradci Králové
- DFT, molecular docking and SERS (concentration and solvent dependant) investigations of a methylisoxazole derivative with potential antimicrobial activity2021 | Farmaceutická fakulta v Hradci Králové
- Mono-oxime bisquaternary acetylcholinesterase reactivators with prop-1,3-diyl linkage - Preparation, in vitro screening and molecular docking2011 | Farmaceutická fakulta v Hradci Králové
- Rational Discovery of GSK3-Beta Modulators Aided by Protein Pocket Prediction and High-Throughput Molecular Docking2016 | Publikace bez příslušnosti k fakultě
- 5-Benzyliden-2-(5-methylthiazol-2-ylimino)thiazolidin-4-ones as Antimicrobial Agents. Design, Synthesis, Biological Evaluation and Molecular Docking Studies2021 | Farmaceutická fakulta v Hradci Králové
- Synthesis, in vitro acetylcholinesterase inhibitory activity and molecular docking of new acridine-coumarin hybrids2017 | Publikace bez příslušnosti k fakultě
- Triazolo Based-Thiadiazole Derivatives. Synthesis, Biological Evaluation and Molecular Docking Studies2021 | Farmaceutická fakulta v Hradci Králové
- Concentration and solvent dependent SERS, DFT, MD simulations and molecular docking studies of a thioxothiazolidine derivative with antimicrobial properties2021 | Farmaceutická fakulta v Hradci Králové
- Adsorption behaviour on silver nanocolloids at various concentrations of a bioactive therapeutic derivative of methylhydrazine: Experimental, DFT and molecular docking investigations2023 | Farmaceutická fakulta v Hradci Králové
- Investigation on the effect of alkyl chain linked mono-thioureas as Jack bean urease inhibitors, SAR, pharmacokinetics ADMET parameters and molecular docking studies2019 | Publikace bez příslušnosti k fakultě
- The preparation, in vitro screening and molecular docking of symmetrical bisquaternary cholinesterase inhibitors containing a but-(2E)-en-1,4-diyl connecting linkage2011 | Farmaceutická fakulta v Hradci Králové
- Synthesis, Molecular Docking, and Neuroprotective Effect of 2-Methylcinnamic Acid Amide in 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) — An Induced Parkinson's Disease Model2022 | Publikace bez příslušnosti k fakultě
- FT-IR and FT-Raman characterization and investigation of reactive properties of N-(3-iodo-4-methylphenyl)pyrazine-2-carboxamide by molecular dynamics simulations and DFT calculations2017 | Farmaceutická fakulta v Hradci Králové
- Synthesis and cholinesterase inhibitory activity study of Amaryllidaceae alkaloid analogues with N-methyl substitution2022 | Farmaceutická fakulta v Hradci Králové, Přírodovědecká fakulta, Matematicko-fyzikální fakulta
- Ligand-Based Virtual Screening, Molecular Docking, Molecular Dynamics, ang MM-PBSA Calculations toward the Identification of Potential Novel Ricin Inhibitors2020 | Lékařská fakulta v Hradci Králové
- Preparation of Tryptanthrin Derivates Bearing a Thiosemicarbazone Moiety to Inhibit SARS-CoV-2 Replication2023 | 1. lékařská fakulta
- Novel Inhibitors of Acetyl- and Butyrylcholinesterase Derived from Benzohydrazides: Synthesis, Evaluation and Docking Study2023 | Farmaceutická fakulta v Hradci Králové
- 5-Aryl-1,3,4-oxadiazol-2-amines Decorated with Long Alkyl and Their Analogues: Synthesis, Acetyl- and Butyrylcholinesterase Inhibition and Docking Study2022 | Farmaceutická fakulta v Hradci Králové