Chemokines and their receptors: insights from molecular modeling and crystallography

по Kufareva, Irina
Опубликовано в: Curr Opin Pharmacol (2016)

Type-II Kinase Inhibitor Docking, Screening, and Profiling Using Modified Structures of Active Kinase States

по Kufareva, Irina, Abagyan, Ruben
Опубликовано 2008

The Flexible Pocketome Engine for Structural Chemical Genomics

по Abagyan, Ruben, Kufareva, Irina
Опубликовано 2009

Methods of protein structure comparison

по Kufareva, Irina, Abagyan, Ruben
Опубликовано в: Methods Mol Biol (2012)

Structure Based Prediction of Subtype-Selectivity for Adenosine Receptor Antagonists

по Katritch, Vsevolod, Kufareva, Irina, Abagyan, Ruben
Опубликовано 2010

The GAPs, GEFs, GDIs and…now, GEMs: New kids on the heterotrimeric G protein signaling block

по Ghosh, Pradipta, Rangamani, Padmini, Kufareva, Irina
Опубликовано в: Cell Cycle (2017)

Improved docking, screening and selectivity prediction for small molecule nuclear receptor modulators using conformational ensembles

по Park, So-Jung, Kufareva, Irina, Abagyan, Ruben
Опубликовано 2010

Pocketome: an encyclopedia of small-molecule binding sites in 4D

по Kufareva, Irina, Ilatovskiy, Andrey V., Abagyan, Ruben
Опубликовано 2012

Quantum Mechanics Approaches to Drug Research in the Era of Structural Chemogenomics

по Ilatovskiy, Andrey V., Abagyan, Ruben, Kufareva, Irina
Опубликовано в: Int J Quantum Chem (2013)

EXPERIMENT-GUIDED MOLECULAR MODELING OF PROTEIN-PROTEIN COMPLEXES INVOLVING GPCRS

по Kufareva, Irina, Handel, Tracy M., Abagyan, Ruben
Опубликовано в: Methods Mol Biol (2015)

A New Method for Ligand Docking to Flexible Receptors by Dual Alanine Scanning and Refinement (SCARE)

по Bottegoni, Giovanni, Kufareva, Irina, Totrov, Maxim, Abagyan, Ruben
Опубликовано 2008

Four-dimensional Docking: a Fast and Accurate Account of Discrete Receptor Flexibility in Ligand Docking

по Bottegoni, Giovanni, Kufareva, Irina, Totrov, Maxim, Abagyan, Ruben
Опубликовано 2009

In Silico Identification and Pharmacological Evaluation of Novel Endocrine Disrupting Chemicals That Act via the Ligand-Binding Domain of the Estrogen Receptor α

по McRobb, Fiona M., Kufareva, Irina, Abagyan, Ruben
Опубликовано в: Toxicol Sci (2014)

Chemokine and chemokine receptor structure and interactions: implications for therapeutic strategies

по Kufareva, Irina, Salanga, Catherina L., Handel, Tracy M.
Опубликовано в: Immunol Cell Biol (2015)

Membrane and Protein Interactions of the Pleckstrin Homology Domain Superfamily

по Lenoir, Marc, Kufareva, Irina, Abagyan, Ruben, Overduin, Michael
Опубликовано в: Membranes (Basel) (2015)

PeptiSite: a structural database of peptide binding sites in 4D

по Acharya, Chayan, Kufareva, Irina, Ilatovskiy, Andrey V., Abagyan, Ruben
Опубликовано 2014

Molecular Mechanisms Deployed by Virally Encoded G Protein Coupled Receptors in Human Diseases

по Montaner, Silvia, Kufareva, Irina, Abagyan, Ruben, Gutkind, J. Silvio
Опубликовано 2012

Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges

по Kufareva, Irina, Katritch, Vsevolod, Stevens, Raymond C., Abagyan, Ruben
Опубликовано 2014

Druggable Exosites of the Human Kino-Pocketome

по Nicola, George, Kufareva, Irina, Ilatovskiy, Andrey V., Abagyan, Ruben
Опубликовано в: J Comput Aided Mol Des (2020)

Functional anatomy of the full-length CXCR4-CXCL12 complex systematically dissected by quantitative model-guided mutagenesis

по Stephens, Bryan S., Ngo, Tony, Kufareva, Irina, Handel, Tracy M.
Опубликовано в: Sci Signal (2020)