ablab.ucsd.edu

Abagyan Lab

Molecular Modeling and Bioinformatics. Ligand docking and drug discovery. Protein-protein docking and interface prediction. Binding pockets as drug targets. Website Of The Abagyan Lab. We dock compounds, proteins and peptides, do protein modeling, structure based lead discovery, drug repurposing, cheminformatics, molecular design, structural modeling and drug binding for GPCRs, kinases, nuclear receptors, green chemistry, structural basis of adverse effects. And the San Diego Supercomputer Center. Struct...

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Molecular Modeling and Bioinformatics. Ligand docking and drug discovery. Protein-protein docking and interface prediction. Binding pockets as drug targets. Website Of The Abagyan Lab. We dock compounds, proteins and peptides, do protein modeling, structure based lead discovery, drug repurposing, cheminformatics, molecular design, structural modeling and drug binding for GPCRs, kinases, nuclear receptors, green chemistry, structural basis of adverse effects. And the San Diego Supercomputer Center. Struct...

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Abagyan Lab | ablab.ucsd.edu Reviews

https://ablab.ucsd.edu

Molecular Modeling and Bioinformatics. Ligand docking and drug discovery. Protein-protein docking and interface prediction. Binding pockets as drug targets. Website Of The Abagyan Lab. We dock compounds, proteins and peptides, do protein modeling, structure based lead discovery, drug repurposing, cheminformatics, molecular design, structural modeling and drug binding for GPCRs, kinases, nuclear receptors, green chemistry, structural basis of adverse effects. And the San Diego Supercomputer Center. Struct...

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ablab.ucsd.edu

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Abagyan Lab

http://ablab.ucsd.edu/ex/people/current.html

Molecular Modeling and Bioinformatics. Ligand docking and drug discovery. Protein-protein docking and interface prediction. Binding pockets as drug targets. Current Abagyan Lab Members. PhD, Professor, Lab Head. Ruben at ucsd.edu. Interests: (i) gently bossing people around, (ii) computational structural proteomics, (iii) structure based ligand discovery technologies and applications; (iv) cancer and neuro- therapeutics. PhD, Project Scientist. Ikufareva at ucsd.edu. Ailatovskiy at ucsd.edu.

2

GPCRDock2010: Home Page

http://ablab.ucsd.edu/GPCRDock2010

A small molecule in a small pocket with two good template structures available. View results ». A small molecule in a large pocket designed for peptide binding with distant templates available. View results ». A peptide-analogue in a pocket with distant templates available. View results ». 2013 Abagyan lab University of California, San Diego.

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Abagyan Lab

http://ablab.ucsd.edu/ex/servers.html

Molecular Modeling and Bioinformatics. Ligand docking and drug discovery. Protein-protein docking and interface prediction. Binding pockets as drug targets. Results of 2013 worldwide assessment of GPCR modeling and docking. Encyclopedia of transient ligand pockets in 4D: multple conformations, subtype classification. Results of worldwide assessment of GPCR modeling and docking. Predict likely protein-protein interaction patches. Generate Elastic Network Normal Mode guided multiple receptor conformations.

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Abagyan Lab

http://ablab.ucsd.edu/ex/home.html

Molecular Modeling and Bioinformatics. Ligand docking and drug discovery. Protein-protein docking and interface prediction. Binding pockets as drug targets. Website Of The Abagyan Lab. We dock compounds, proteins and peptides, do protein modeling, structure based lead discovery, drug repurposing, cheminformatics, molecular design, structural modeling and drug binding for GPCRs, kinases, nuclear receptors, green chemistry, structural basis of adverse effects. And the San Diego Supercomputer Center. Struct...

5

Abagyan Lab

http://ablab.ucsd.edu/index.html

Molecular Modeling and Bioinformatics. Ligand docking and drug discovery. Protein-protein docking and interface prediction. Binding pockets as drug targets. Website Of The Abagyan Lab. We dock compounds, proteins and peptides, do protein modeling, structure based lead discovery, drug repurposing, cheminformatics, molecular design, structural modeling and drug binding for GPCRs, kinases, nuclear receptors, green chemistry, structural basis of adverse effects. And the San Diego Supercomputer Center. Struct...

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GPCRDock2013: Home Page

http://abagyan.ucsd.edu/GPCRDock2013

A bitopic (orthosteric/allosteric) small molecule agonist in a pocket with closely homologous template structures available. View results ». A bitopic (orthosteric/allosteric) arrestin-biased agonist in a pocket with closely homologous template structures available. View results ». A small molecule antagonist in a pocket with only extremely distant templates available. View results ». A small molecule antagonist in a pocket with only extremely distant templates available. View results ».

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ablab.ucsd.edu

Abagyan Lab

Molecular Modeling and Bioinformatics. Ligand docking and drug discovery. Protein-protein docking and interface prediction. Binding pockets as drug targets. Website Of The Abagyan Lab. We dock compounds, proteins and peptides, do protein modeling, structure based lead discovery, drug repurposing, cheminformatics, molecular design, structural modeling and drug binding for GPCRs, kinases, nuclear receptors, green chemistry, structural basis of adverse effects. And the San Diego Supercomputer Center. Struct...

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