Ákos Tarcsay
Budapest University of Technology and Economics
17 Papers
112 Citations
Ákos Tarcsay is an academic researcher from Budapest University of Technology and Economics. The author has contributed to research in topics: Docking (molecular) & Virtual screening. The author has an hindex of 11, co-authored 17 publications.
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Papers
In silico site of metabolism prediction of cytochrome P450-mediated biotransformations
Ákos Tarcsay,György M. Keserü +1 more
TL;DR: Comparison of the efficacy of SOM prediction methodologies revealed the general dependency on the studied isoform and substrate set, and combined methods covering both steric and electronic effects are preferred on most of the pharmaceutically relevant isoforms.
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Comparative evaluation of pKa prediction tools on a drug discovery dataset
TL;DR: Five pK(a) prediction softwares such as ACD, Epik, Marvin, PharmaAlgorithm and Pallas were tested on novel, never-published compounds to identify the best practice and explore the limitations of the current methods.
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Site of metabolism prediction on cytochrome P450 2C9: a knowledge-based docking approach
TL;DR: The predictive power of the knowledge-based method was compared to that achieved by substrate docking and two alternative literature approaches, and it could identify the correct metabolite among the three best-ranked compounds in 69% of the cases.
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Multiple ligand docking by Glide: implications for virtual second-site screening
TL;DR: The HSP90 subset from real life fragment optimization programs revealed that Glide is able to reproduce the positions of multiple bound fragments if conserved water molecules are considered and the utility of Glide in sequential multiple docking applications is assessed.
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Demonstration of an intramitochondrial invertase activity and the corresponding sugar transporters of the inner mitochondrial membrane in Jerusalem artichoke ( Helianthus tuberosus L.) tubers
András Szarka,András Szarka,Nele Horemans,Salvatore Passarella,Ákos Tarcsay,Ferenc Örsi,András Salgó,Gábor Bánhegyi +7 more
TL;DR: The present study demonstrates an invertase activity in the mitochondrial matrix of Helianthus tuberosus tubers that belongs to the neutral invertases, and the different kinetic parameters and inhibitors suggest that sucrose, glucose and fructose transport are mediated by separate transporters in the inner mitochondrial membrane.
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