H
Hélène Decornez
Researcher at Albany Molecular Research, Inc.
Publications - 5
Citations - 2942
Hélène Decornez is an academic researcher from Albany Molecular Research, Inc.. The author has contributed to research in topics: Virtual screening & Lead Finder. The author has an hindex of 4, co-authored 5 publications receiving 2541 citations.
Papers
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Journal ArticleDOI
Docking and scoring in virtual screening for drug discovery: methods and applications.
TL;DR: Key concepts and specific features of small-molecule–protein docking methods are reviewed, selected applications are highlighted and recent advances that aim to address the acknowledged limitations of established approaches are discussed.
Journal ArticleDOI
Early phase drug discovery: cheminformatics and computational techniques in identifying lead series.
TL;DR: The steps in typical hit identification and hit-to-lead programs are described and how cheminformatic analysis assists this process, including scaffold analysis, clustering and property calculations assist in the design of high-throughput screening libraries and the early analysis of hits.
Journal ArticleDOI
Design, Selection, and Evaluation of a General Kinase‐Focused Library
Hélène Decornez,Anna Gulyás-Forró,Ákos Papp,Miklós Szabó,Gabriella Sármay,István Hajdú,Sándor Cseh,György Dormán,Douglas B. Kitchen +8 more
TL;DR: The present work describes a rapid computational process to select a collection of compounds targeted as kinase inhibitors, combining the advantages of 2D and 3D virtual screening methods for use in kinase-focused screening campaigns.
Patent
Methods and compositions for the treatment of phosphatase- related disorders
TL;DR: In this paper, the authors proposed a method for screening compounds capable of modulating the activity of a protein serine/threonine phosphatase, which can be used to treating conditions associated with PPI activity.