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Comparative evaluation of pKa prediction tools on a drug discovery datasetGyörgy T. Balogh; Ákos Tarcsay; György M. Keserű · 2012
Impact of Lipophilic Efficiency on Compound QualityTarcsay, Ákos; Nyíri, Kinga; Keserű, György M. · 2012
Contributions of Molecular Properties to Drug PromiscuityTarcsay, Ákos; Keserű, György M. · Journal of Medicinal Chemistry · 2013
Quinolinyl- and phenantridinyl-acetamides as bradykinin B1 receptor antagonistsJános Éles; Gyula Beke; István Vágó; Éva Bozó; József Huszár; Ákos Tarcsay; Sándor Kolok; Éva Schmidt; Mónika Vastag; Katalin Hornok; Sándor Farkas; György Domány; György M. Keserű · 2012
Correction to Impact of Lipophilic Efficiency on Compound QualityTarcsay, Ákos; Nyíri, Kinga; Keserű, György M. · Journal of Medicinal Chemistry · 2013
Multiple ligand docking by Glide: implications for virtual second-site screeningMárton Vass, Ákos Tarcsay, György M. Keserű · 2012
The Impact of Molecular Dynamics Sampling on the Performance of Virtual Screening against GPCRsTarcsay, Ákos; Paragi, Gábor; Vass, Márton; Jójárt, Balázs; Bogár, Ferenc; Keserű, György M. · Journal of Chemical Information and Modeling · 2013
Cheminformatics: data driving decisionsPatterson, Jean · Drug Discovery Today: BIOSILICO · 2004
Expanding medicinal chemistry spaceBarker, Andy; Kettle, Jason G.; Nowak, Thorsten; Pease, J. Elizabeth · Drug Discovery Today · 2013
Obesity and metabolic inflammationXu, Haiyan · Drug Discovery Today: Disease Mechanisms · 2013
Genomics and transcriptomics in drug discoveryDopazo, Joaquin · Drug Discovery Today · 2014
Large-scale SAR analysisBajorath, Jürgen · Drug Discovery Today: Technologies · 2013
Understanding itch in skin diseaseLangner, Mikael David; Steinhoff, Martin · Drug Discovery Today: Disease Mechanisms · 2013
Continuous flow synthesisYoshida, Jun-ichi; Nagaki, Aiichiro; Yamada, Daisuke · Drug Discovery Today: Technologies · 2013
Novel antitussive strategiesMorjaria, Jaymin B.; Dickinson, Rebecca S.; Morice, Alyn H. · Drug Discovery Today · 2013