Irina Kufareva

Publication Activity (10 Years)

Years Active: 2008-2023
Publications (10 Years): 2

Top Topics

Statistical Significance

Virtual Screening

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Willow Carretero Chavez, Marcus Krantz, Edda Klipp, Irina Kufareva
kboolnet: a toolkit for the verification, validation, and visualization of reaction-contingency (rxncon) models. BMC Bioinform. 24 (1) (2023)
George Nicola, Irina Kufareva, Andrey V. Ilatovskiy, Ruben Abagyan
Druggable exosites of the human kino-pocketome. J. Comput. Aided Mol. Des. 34 (3) (2020)
Jarmila Husby, Giovanni Bottegoni, Irina Kufareva, Ruben Abagyan, Andrea Cavalli
Structure-Based Predictions of Activity Cliffs. J. Chem. Inf. Model. 55 (5) (2015)
Mari Gabrielsen, Rafal Kurczab, Agata Siwek, Malgorzata Wolak, Aina Westrheim Ravna, Kurt Kristiansen, Irina Kufareva, Ruben Abagyan, Gabriel Nowak, Zdzislaw Chilmonczyk, Ingebrigt Sylte, Andrzej J. Bojarski
Identification of Novel Serotonin Transporter Compounds by Virtual Screening. J. Chem. Inf. Model. 54 (3) (2014)
Irina Kufareva, Andrey V. Ilatovskiy, Ruben Abagyan
Pocketome: an encyclopedia of small-molecule binding sites in 4D. Nucleic Acids Res. 40 (Database-Issue) (2012)
So-Jung Park, Irina Kufareva, Ruben Abagyan
Improved docking, screening and selectivity prediction for small molecule nuclear receptor modulators using conformational ensembles. J. Comput. Aided Mol. Des. 24 (5) (2010)
A. V. Grigoryan, Irina Kufareva, Maxim Totrov, Ruben Abagyan
Spatial chemical distance based on atomic property fields. J. Comput. Aided Mol. Des. 24 (3) (2010)
Hui Sun Lee, Jiwon Choi, Irina Kufareva, Ruben Abagyan, Anton V. Filikov, Young Yang, Sukjoon Yoon
Optimization of High Throughput Virtual Screening by Combining Shape-Matching and Docking Methods. J. Chem. Inf. Model. 48 (3) (2008)
Giovanni Bottegoni, Irina Kufareva, Maxim Totrov, Ruben Abagyan
A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE). J. Comput. Aided Mol. Des. 22 (5) (2008)