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docking
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Spolehlivé docking/scoring schéma založené na semiempirické kvantověmechanické metodě PM6-DH2 přesně pokrývající disperzi a H-vazbu: HIV-1 proteasa s 22 ligandy.
2010 |
Přírodovědecká fakulta
publication
DFT, SERS-concentration and solvent dependent and docking studies of a bioactive benzenesulfonamide derivative
2021 |
Farmaceutická fakulta v Hradci Králové
publication
Spectroscopic investigations, concentration dependent SERS, and molecular docking studies of a hydroxybenzylidene derivative
2022 |
Farmaceutická fakulta v Hradci Králové
publication
Concentration dependent SERS, DFT and molecular docking studies of a ureido derivative with antitubercular properties
2021 |
Farmaceutická fakulta v Hradci Králové
publication
Triazolo Based-Thiadiazole Derivatives. Synthesis, Biological Evaluation and Molecular Docking Studies
2021 |
Farmaceutická fakulta v Hradci Králové
publication
Novel Inhibitors of Acetyl- and Butyrylcholinesterase Derived from Benzohydrazides: Synthesis, Evaluation and Docking Study
2023 |
Farmaceutická fakulta v Hradci Králové
publication
Mono-oxime bisquaternary acetylcholinesterase reactivators with prop-1,3-diyl linkage - Preparation, in vitro screening and molecular docking
2011 |
Farmaceutická fakulta v Hradci Králové
publication
Spectroscopic investigations, concentration dependent SERS, and molecular docking studies of a benzoic acid derivative
2021 |
Farmaceutická fakulta v Hradci Králové
publication
Antinociceptive Activity of Chemical Components of Essential Oils That Involves Docking Studies: A Review
2020 |
Fakulta tělesné výchovy a sportu
publication
Parallel flexible molecular docking in computational chemistry on high performance computing clusters
2015 |
Publikace bez příslušnosti k fakultě
publication
5-Benzyliden-2-(5-methylthiazol-2-ylimino)thiazolidin-4-ones as Antimicrobial Agents. Design, Synthesis, Biological Evaluation and Molecular Docking Studies
2021 |
Farmaceutická fakulta v Hradci Králové
publication
Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach
2024 |
Přírodovědecká fakulta, Ústřední knihovna
publication
Acetylcholinesterase-Inhibiting Activity of Salicylanilide N-Alkylcarbamates and Their Molecular Docking
2012 |
Farmaceutická fakulta v Hradci Králové
publication
Novel Group of AChE Reactivators-Synthesis, In Vitro Reactivation and Molecular Docking Study
2018 |
Publikace bez příslušnosti k fakultě
publication
DFT, molecular docking and SERS (concentration and solvent dependant) investigations of a methylisoxazole derivative with potential antimicrobial activity
2021 |
Farmaceutická fakulta v Hradci Králové
publication
5-Aryl-1,3,4-oxadiazol-2-amines Decorated with Long Alkyl and Their Analogues: Synthesis, Acetyl- and Butyrylcholinesterase Inhibition and Docking Study
2022 |
Farmaceutická fakulta v Hradci Králové
publication
Searching for new antimicrobial agents by targeting bacterial nad metabolism: evaluation of frentizole derivatives selected by molecular docking
2020 |
Publikace bez příslušnosti k fakultě
publication
Spectroscopic, quantum chemical studies, Fukui functions, in vitro antiviral activity and molecular docking of 5-chloro-N-(3-nitrophenyl) pyrazine-2-carboxamide
2016 |
Farmaceutická fakulta v Hradci Králové
publication
Docking studies and effects of syn-anti isomery of oximes derived from pyridine imidazol bicycled systems as potential human acetylcholinesterase reactivators
2011 |
Publikace bez příslušnosti k fakultě
publication
The preparation, in vitro screening and molecular docking of symmetrical bisquaternary cholinesterase inhibitors containing a but-(2E)-en-1,4-diyl connecting linkage
2011 |
Farmaceutická fakulta v Hradci Králové
publication
Novel propargylamine-based inhibitors of cholinesterases and monoamine oxidases: Synthesis, biological evaluation and docking study
2021 |
Farmaceutická fakulta v Hradci Králové
publication
Docking-Based Development of Purine-like Inhibitors of Cdk2
2000 |
1. lékařská fakulta
publication
Inhibition of In Vitro Leukotriene B-4 Biosynthesis in Human Neutrophil Granulocytes and Docking Studies of Natural Quinones
2013 |
Přírodovědecká fakulta
publication
Plugging the explicit sigma-holes in molecular docking
2013 |
Přírodovědecká fakulta
publication
Tacrine-coumarin and Tacrine-7-chloroquinoline Hybrids with Thiourea Linkers: Cholinesterase Inhibition Properties, Kinetic Study, Molecular Docking and Permeability Assay for Blood-brain Barrier
2018 |
Publikace bez příslušnosti k fakultě
publication
Amaryllidaceae Alkaloids of Norbelladine-Type as Inspiration for Development of Highly Selective Butyrylcholinesterase Inhibitors: Synthesis, Biological Activity Evaluation, and Docking Studies
2021 |
Farmaceutická fakulta v Hradci Králové
publication
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 Relationship
2023 |
Farmaceutická fakulta v Hradci Králové
publication
Combinatorial ShcA docking interactions support diversity in tissue morphogenesis
2007 |
1. lékařská fakulta
publication
A novel membrane complex is required for docking and regulated exocytosis of lysosome-related organelles in Tetrahymena thermophila
2022 |
Přírodovědecká fakulta
publication
Docking-based development of purine -like inhibitor of Cdk2.
1999 |
Fakulta tělesné výchovy a sportu