Bioinformatics And High Performance Computing Facility
Price On RequestThe bioinformatics facility at NCCS provides access to high-performance compute resources and programming expertise. The compute infrastructure serves scientists at NCCS to master the informatics needs of their research in a proficient and cost-effective manner. Hardware infrastructure: SGI Altix XE 1300 Cluster Head Node: SGI Altix XE 270 Server Dual Quad Core XEON 5620 @ 2.4GHz / 12MB cache 12GB Memory 5 x 2TB SATA Disk @ 7.2K RPM RAID 5 Compute Nodes: SGI Altix 340 Servers 2 x HEXA Core XEON 5670 @ 2.93GHz / 12MB cache 24GB Memory 250GB SATA Disk @ 7.2K RPM Dual Gigabit Ethernet Card SGI Cluster Software Stack: SLES Ver 11 SGI ProPack 7 SGI Foundation Software Ver 2.0 Interconnect: 24-Ports Gigabit Ethernet Switch Sunfire X 4150 (Intel Xeon 2.33 GHz Quad Core Dual Processor) Standard Libraries and compilers. Specialized Workstations HP workstations of Intel Core 2 Duo @3.00GHz with 8 GB of DDR2 memory, 320 GB of SATA storage and 19" LCD wide Display with Linux operating system Desktop Computers: Desktop computers with Intel core 2 duo processor @1.8Ghz to 2.8GHz with 2 GB to 4 GB of DRR2 memory, 160GB to 320GB of SATA storage with 17" wide and normal LCD display and loaded with Windows XP. Apple iMac PC for running specialized programs and softwares Printer: HP Laserjet M1136MFP UPS: 10KVA (APC make) to run clusters Software infrastructure: Bioinformatics Facility at NCCS has procured several software for scientific research with commercial and/or academic licenses. These are: Sequence analysis: BLAST, CLUSTAL-W, MEGA, Eisen Molecular Modeling: Modeler (DISCOVERY STUDIO 3.0), Protein Families (DISCOVERY STUDIO 3.0), Protein Health (DISCOVERY STUDIO 3.0), Protein Refine (DISCOVERY STUDIO 3.0), Profiles-3D (DISCOVERY STUDIO 3.0) Molecular Docking: Flexible Docking (DISCOVERY STUDIO 3.0), LibDock (DISCOVERY STUDIO 3.0), Ludi (DISCOVERY STUDIO 3.0), LigPrep (DISCOVERY STUDIO 3.0), LigandFIT (DISCOVERY STUDIO 3.0),LigandScore (DISCOVERY STUDIO 3.0), AUTODOCK, Database of 1.5million Compound Library (DISCOVERY STUDIO 3.0) Pharmacophore Modeling: Auto Pharmacophore generation, Receptor-ligand pharmacophore egeneration,3D QSAR pharmacophore generation, Steric Refinements with excluded volumes. (DISCOVERYSTUDIO3.0) Toxicity Prediction: ADMET (DISCOVERY STUDIO 3.0), TOPKAT (DISCOVERY STUDIO 3.0), QSAR: Create Bayesian Model, Recusrive Partioning Model, Multiple Linear Regression Model, partial least squares model, genetic function approximation model, 3D QSAR model (Discovery Studio 3.0). Intelligent QSAR using molecular fragments of interest and their features, evaluation of descriptors from template scaffold to form relationship with the activity. Quantum Mechanics and Molecular Mechanics: GAUSSIAN Molecular Dynamics: CHARMM, GROMACS, NAMD, MOIL Molecular Visualisation: Rasmol, MolMol, WinCoot, Swiss PDB viewer, MolScript, VMD Systems Biology Tools: Virtual Cell, M-cell, Cell Designer, GEPASI, Cytoscape, Osprey,E-Cell, COPASI Artificial Intelligence: SVMlight and SNNS Material Modeling and Simulation Material Studio 5.5 Graphs and Graphics: Sigma Plot, GNU Plot, Corel Draw and PhotoShop Statistical packages: MATLAB and R