Five strong Linux workstations containing 2x Intel Xeon 6C/12T 3.46GHz processors, and 2x NVIDIA GTX 590 graphics cards involving 2048 CUDA Cores in total. Monitors ZALMAN for 3D visualization (with 3D passive polarized glasses).
Scientific software (programs for protein modeling, ligand docking and visualization):
NAMD, GROMACS, CHARMM - programs for molecular dynamics
VMD, MolMol, PyMol etc. - programs for molecular visualizations
Schrodinger software Suite
Discovery Studio (Accelrys Inc.), Sybyl (Tripos Inc.)
Access to Supercomputer Centres in Warsaw/Poland (ICM), Gdansk/Poland
(TASK), Pittsburgh/USA (PSC), Barcelona/Spain (BSC).
The latest news
The ERNEST project (COST CA18133) has started.
ERNEST = European Research Network on Signal Transduction
The 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.
Our 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.