Conferences
- The 1st ERNEST conference:
"GPCR Pharmacology:
Activation, Signalling and Drug Design",
October 28-30, 2019,
Queen's University Belfast, Northern Ireland, UK
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Scientific interests
- Drug design
- Modeling of structure and dynamics of membrane proteins
- Action of molecular switches on activation pathway of GPCRs, agonist/antagonist sensors
- Development of new methods for coarse-grain dynamics
- Oligomerization processes of proteins and peptides
- Interactions of proteins with graphene, carbon nanotubes and other electrode materials
- Simulated mechanical unfolding of proteins
Graphics created by Shuguang Yuan
Membrane receptor with a membrane and water in a periodic box.
Major investigated proteins
- G-protein-coupled receptors - GPCRs (rhodopsin, adrenergic / opioid / cannabinoid / chemokine / … receptors)
- Bacteriorhodopsin, halorhodopsin
- Membrane proteases including the γ-secretase complex (Alzheimer disease)
- Glucose oxidase (for biosensors)
The latest news
- March 2019.The ERNEST project (COST CA18133) has started.ERNEST = European Research Network on Signal TransductionThe main scientific objective of the Action is to develop a common, comprehensive and holistic map of signal transduction that will advance development of pathway-specific chemical modulators. This unique and innovative goal will be realised by linking of a diverse group of researchers in the field through the networking activities funded by COST.
- May 2018.GPCRMOur service GPCRM is completely reshaped, much faster, and user friendly. Now, it contains 3 main routes: Quick path (default), Long path, and High similarity (the fastest) for homology modeling of GPCRs. Currently, the service contains over 90 template structures. The updated version was recently published in NAR 2018, W1.