GPCR Network:


Docking and scoring with ICM: the benchmarking results and strategies for improvement

GPCR Network

ICM was benchmarked for self-docking accuracy and virtual ligand screening using three test sets. The benchmarking results, calculation details, current developments, and future prospects for further improving performance are presented.

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GPCR stabilization using the bicelle-like architecture of mixed sterol-detergent micelles

GPCR Network

We have identified sterols that substantially increase the stability of the NOP receptor (ORL-1), a member of the opioid GPCR family, in a mixed micelle environment.

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

GPCR Network

To assist in understanding the flexible protein-ligand interactions, we constructed the Pocketome, an encyclopedia of about one thousand experimentally solved conformational ensembles of druggable binding sites in proteins, grouped by location and consistent chain/cofactor composition.

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

GPCR Network

The community-wide GPCR Dock assessment is conducted to evaluate the status of molecular modeling and ligand docking for human G protein-coupled receptors. The assessment results provide guidance for modeling and crystallographic communities in method development and target selection for further expansion of the structural coverage of the GPCR universe.

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The GPCR Network: a large-scale collaboration to determine human GPCR structure and function

GPCR Network

The GPCR Network was created in 2010 with the goal of structurally characterizing 15-25 representative human GPCRs within 5 years, based on an active outreach programme addressing an interdisciplinary community of scientists interested in GPCR structure, chemistry and biology.

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