Irina Kufareva

发表

Spatial chemical distance based on atomic property fields

Ruben Abagyan, Maxim Totrov, A. V. Grigoryan, 2010, J. Comput. Aided Mol. Des..

Predicting Molecular Interactions in Structural Proteomics

Ruben Abagyan, Irina Kufareva, R. Abagyan, 2008 .

Methods of protein structure comparison.

Ruben Abagyan, Irina Kufareva, R. Abagyan, 2012, Methods in molecular biology.

Role of 3D Structures in Understanding, Predicting, and Designing Molecular Interactions in the Chemokine Receptor Family

Ruben Abagyan, Irina Kufareva, Tracy M. Handel, 2014 .

Experiment-Guided Molecular Modeling of Protein-Protein Complexes Involving GPCRs.

Ruben Abagyan, Irina Kufareva, Tracy M Handel, 2015, Methods in molecular biology.

A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE)

Ruben Abagyan, Maxim Totrov, Irina Kufareva, 2008, J. Comput. Aided Mol. Des..

Optimization of High Throughput Virtual Screening by Combining Shape-Matching and Docking Methods

Jiwon Choi, Ruben Abagyan, Irina Kufareva, 2008, J. Chem. Inf. Model..

Druggable exosites of the human kino-pocketome

Ruben Abagyan, Irina Kufareva, George Nicola, 2020, Journal of Computer-Aided Molecular Design.

PIER: Protein interface recognition for structural proteomics

Ruben Abagyan, Maxim Totrov, Irina Kufareva, 2007, Proteins.

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

Ruben Abagyan, Irina Kufareva, So-Jung Park, 2010, J. Comput. Aided Mol. Des..

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

Ruben Abagyan, Irina Kufareva, Andrey V. Ilatovskiy, 2011, Nucleic Acids Res..

Equivalence Checking of Arithmetic Circuits

Dominik Stoffel, Wolfgang Kunz, Irina Kufareva, 2004 .

Structure-Based Predictions of Activity Cliffs

Ruben Abagyan, Andrea Cavalli, Irina Kufareva, 2015, J. Chem. Inf. Model..

Identification of Novel Serotonin Transporter Compounds by Virtual Screening

Ruben Abagyan, Irina Kufareva, Andrzej J. Bojarski, 2014, J. Chem. Inf. Model..

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.

Ruben Abagyan, Judy Lin, Irina Kufareva, 2010, Journal of medicinal chemistry.

Compound activity prediction using models of binding pockets or ligand properties in 3D.

Ruben Abagyan, Irina Kufareva, Yu-Chen Chen, 2012, Current topics in medicinal chemistry.

Identifying ligands at orphan GPCRs: current status using structure‐based approaches

Ruben Abagyan, Irina Kufareva, Tony Ngo, 2016, British journal of pharmacology.

In Silico Analysis of the Conservation of Human Toxicity and Endocrine Disruption Targets in Aquatic Species

Ruben Abagyan, Irina Kufareva, Fiona M. McRobb, 2014, Environmental science & technology.

Structure-Based Discovery of Novel Chemotypes for Adenosine A 2 A Receptor Antagonists

Ruben Abagyan, Adriaan P. IJzerman, Judy Lin, 2010 .

Computational identification of novel peripheral protein-membrane interactions

Ruben Abagyan, Irina Kufareva, Felician Dancea, 2008 .

Sirtuin 2 Inhibitors Rescue α-Synuclein-Mediated Toxicity in Models of Parkinson's Disease

Ruben Abagyan, Irina Kufareva, Bradley T. Hyman, 2007, Science.

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

Irina Kufareva, Tracy M Handel, T. Handel, 2015, Immunology and cell biology.

In silico identification and pharmacological evaluation of novel endocrine disrupting chemicals that act via the ligand-binding domain of the estrogen receptor α.

Ruben Abagyan, Irina Kufareva, R. Abagyan, 2014, Toxicological sciences : an official journal of the Society of Toxicology.

Novel cGMP efflux inhibitors identified by virtual ligand screening (VLS) and confirmed by experimental studies.

Ruben Abagyan, Irina Kufareva, R. Abagyan, 2012, Journal of medicinal chemistry.

Optimization of High Throughput Virtual Screening by Combining Shape‐Matching and Docking Methods.

Ruben Abagyan, Irina Kufareva, Sukjoon Yoon, 2008 .

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

Ruben Abagyan, Irina Kufareva, R. Abagyan, 2013, International journal of quantum chemistry.

Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine

Ruben Abagyan, Irina Kufareva, Raymond C. Stevens, 2015, Science.

Stoichiometry and geometry of the CXC chemokine receptor 4 complex with CXC ligand 12: Molecular modeling and experimental validation

Ruben Abagyan, Irina Kufareva, Tracy M Handel, 2014, Proceedings of the National Academy of Sciences.

Four-dimensional docking: a fast and accurate account of discrete receptor flexibility in ligand docking.

Ruben Abagyan, Maxim Totrov, Irina Kufareva, 2009, Journal of medicinal chemistry.

Towards a structural understanding of allosteric drugs at the human calcium-sensing receptor

Ruben Abagyan, Arthur Christopoulos, Irina Kufareva, 2016, Cell Research.

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

Ruben Abagyan, Chayan Acharya, Irina Kufareva, 2014, Biochemical and biophysical research communications.

Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists

Ruben Abagyan, Adriaan P. IJzerman, Irina Kufareva, 2016, Nature.

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

Ruben Abagyan, Irina Kufareva, Vsevolod Katritch, 2014, Structure.

Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment.

Ruben Abagyan, Irina Kufareva, Vsevolod Katritch, 2011, Structure.

Structure based prediction of subtype-selectivity for adenosine receptor antagonists

Ruben Abagyan, Irina Kufareva, Vsevolod Katritch, 2011, Neuropharmacology.