Pharmacoinformatics & Drug Design

Here you could find Tutorials, script library, gallery, FAQ, and a little bit more for pharmacoinformatics and drug design


The Facultad de Ciencias Biológicas at the Universidad de Concepción is integrated by the departments of cell biology, biochemistry, ergonomics, pharmacology, physiology, physiopathology, and microbiology. Each department has different equipment and facilities that allow them to do cutting-edge research in their area of expertise.


Software for molecular simulation, modeling and Visualization: Schrödinger Drug Design Suite, Modeller, AMBER, GROMACS, PyMol, VMD, KNIME, AutoDock, AutoDock vina, LigandScout, BIKI.


1 small GPU cluster (Tensor TWS-1686525-AMB: 2x Intel Xeon Silver 4110 Processor, 8 Core, 16 Threads, 2.1Ghz, 11M Cache, 85W. 12x 8GB DDR4 ECC/REG 2666MHZ (96GB System memory). 1x 256GB 2.5 SATA III Internal Solid State Drive (SSD). 1x 8TB SATA 6Gb/s 7200RPM 3.5" 256MB Cache Hard Drive. 3x GPU Nvidia Quadro P5000 16GB. CentOS 7)

Multiple workstations for visualization and data analysis (1x Intel CPU Core i7-7700 3.6GHz. 1x Toshiba Disco Duro 2TB Sata3 7200 rpm 64MB P300. 1x SSD 480GB Sata3 2.5". 2x MSI Video Nvidia Gaming GeForce GTX1660 6GB. 2x Kingston DDR4 16GB 2400MHz HyperX FURY Black).

We have access to the CPU- GPU-clusters at the Center for Bioinformatics and Molecular Simulations at Universidad de Talca, Chile

Available GPUs