FRAGNET is a Marie Skłodowska-Curie Innovative Training Network (ITN) set up to train a new generation of researchers in all aspects of Fragment-Based Ligand Design (FBLD), thereby enabling them to use the different methods and technologies to develop the next generation of medicines. This Workshop will take place on the 24th of January and will […]
Read More →Original entry published in CBDD Research Group Blog. We have found ourselves several times in a situation where we have to parametrize compounds for running MDs. In this blog entry, I will try to set up a protocol for parametrization of small molecules dihedrals for AMBER using Gaussian and sander (based on the tutorial found […]
Read More →Original entry published in CBDD Research Group Blog. Here you will find a a short tutorial about how to generate ROC curves and other statistics after running rDock molecular docking (for other programs such as Vina or Glide, just a little modification on the way dataforR_uq.txt file is interpreted will make it work, see below). […]
Read More →Two PhD positions are available in our lab in the context of a Marie Curie Initial Training Network (FragNet). Applications from MSc students finishing their Bioinformatics (or related) degree on/before summer 2016 are particularly welcome. The Marie Curie fellowships offer a very competitive salary, while the ITN program is designed to provide excellent training […]
Read More →The EU has granted 3.9 M euro to ICREA Research Professor Xavier Barril, group leader at the University of Barcelona, and colleagues from academia and SMEs from Hungary, The Netherlands, Sweden, Switzerland, and UK. The Marie Curie Innovative Training Network (ITN) FRAGNET will explore new research methods and applications in the emerging field of fragment-based […]
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