- A reliable docking/scoring scheme based on the semiempirical quantum mechanical PM6-DH2 method accurately covering dispersion and H-bonding: HIV-1 protease with 22 ligands.2010 | Faculty of Science
- DFT, SERS-concentration and solvent dependent and docking studies of a bioactive benzenesulfonamide derivative2021 | Faculty of Pharmacy in Hradec Králové
- Spectroscopic investigations, concentration dependent SERS, and molecular docking studies of a hydroxybenzylidene derivative2022 | Faculty of Pharmacy in Hradec Králové
- Concentration dependent SERS, DFT and molecular docking studies of a ureido derivative with antitubercular properties2021 | Faculty of Pharmacy in Hradec Králové
- Triazolo Based-Thiadiazole Derivatives. Synthesis, Biological Evaluation and Molecular Docking Studies2021 | Faculty of Pharmacy in Hradec Králové
- Novel Inhibitors of Acetyl- and Butyrylcholinesterase Derived from Benzohydrazides: Synthesis, Evaluation and Docking Study2023 | Faculty of Pharmacy in Hradec Králové
- Mono-oxime bisquaternary acetylcholinesterase reactivators with prop-1,3-diyl linkage - Preparation, in vitro screening and molecular docking2011 | Faculty of Pharmacy in Hradec Králové
- Spectroscopic investigations, concentration dependent SERS, and molecular docking studies of a benzoic acid derivative2021 | Faculty of Pharmacy in Hradec Králové
- Antinociceptive Activity of Chemical Components of Essential Oils That Involves Docking Studies: A Review2020 | Faculty of Physical Education and Sport
- Parallel flexible molecular docking in computational chemistry on high performance computing clusters2015 | Publication without faculty affiliation
- 5-Benzyliden-2-(5-methylthiazol-2-ylimino)thiazolidin-4-ones as Antimicrobial Agents. Design, Synthesis, Biological Evaluation and Molecular Docking Studies2021 | Faculty of Pharmacy in Hradec Králové
- Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach2024 | Faculty of Science, Central Library of Charles University
- Acetylcholinesterase-Inhibiting Activity of Salicylanilide N-Alkylcarbamates and Their Molecular Docking2012 | Faculty of Pharmacy in Hradec Králové
- Novel Group of AChE Reactivators-Synthesis, In Vitro Reactivation and Molecular Docking Study2018 | Publication without faculty affiliation
- DFT, molecular docking and SERS (concentration and solvent dependant) investigations of a methylisoxazole derivative with potential antimicrobial activity2021 | Faculty of Pharmacy in Hradec Králové
- 5-Aryl-1,3,4-oxadiazol-2-amines Decorated with Long Alkyl and Their Analogues: Synthesis, Acetyl- and Butyrylcholinesterase Inhibition and Docking Study2022 | Faculty of Pharmacy in Hradec Králové
- Searching for new antimicrobial agents by targeting bacterial nad metabolism: evaluation of frentizole derivatives selected by molecular docking2020 | Publication without faculty affiliation
- Spectroscopic, quantum chemical studies, Fukui functions, in vitro antiviral activity and molecular docking of 5-chloro-N-(3-nitrophenyl) pyrazine-2-carboxamide2016 | Faculty of Pharmacy in Hradec Králové
- Docking studies and effects of syn-anti isomery of oximes derived from pyridine imidazol bicycled systems as potential human acetylcholinesterase reactivators2011 | Publication without faculty affiliation
- The preparation, in vitro screening and molecular docking of symmetrical bisquaternary cholinesterase inhibitors containing a but-(2E)-en-1,4-diyl connecting linkage2011 | Faculty of Pharmacy in Hradec Králové
- Novel propargylamine-based inhibitors of cholinesterases and monoamine oxidases: Synthesis, biological evaluation and docking study2021 | Faculty of Pharmacy in Hradec Králové
- Docking-Based Development of Purine-like Inhibitors of Cdk22000 | First Faculty of Medicine
- Inhibition of In Vitro Leukotriene B-4 Biosynthesis in Human Neutrophil Granulocytes and Docking Studies of Natural Quinones2013 | Faculty of Science
- Plugging the explicit sigma-holes in molecular docking2013 | Faculty of Science
- Tacrine-coumarin and Tacrine-7-chloroquinoline Hybrids with Thiourea Linkers: Cholinesterase Inhibition Properties, Kinetic Study, Molecular Docking and Permeability Assay for Blood-brain Barrier2018 | Publication without faculty affiliation
- Amaryllidaceae Alkaloids of Norbelladine-Type as Inspiration for Development of Highly Selective Butyrylcholinesterase Inhibitors: Synthesis, Biological Activity Evaluation, and Docking Studies2021 | Faculty of Pharmacy in Hradec Králové
- 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 | Faculty of Pharmacy in Hradec Králové
- Combinatorial ShcA docking interactions support diversity in tissue morphogenesis2007 | First Faculty of Medicine
- A novel membrane complex is required for docking and regulated exocytosis of lysosome-related organelles in Tetrahymena thermophila2022 | Faculty of Science
- Docking-based development of purine -like inhibitor of Cdk2.1999 | Faculty of Physical Education and Sport