Recent Posts by Alberto

How computational chemistry tools can help drug repurposing?

For most of the past decade, the number of drugs approved every year per dollar spent on R&D has remained flat or decreased. The expenses for a newly approved drug will reach unexpected values over the next few years if this trend continues. (see What’s Eroom’s Law?) (1). Could the re-use of old drugs for…
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Fragment Based Drug Design and Field-Based Technology

Image obtained from Advances in Fragment-Based Drug Discovery by  Laura Elizabeth Mason Fragment-Based Drug Design (FBDD) is becoming a useful strategy for hit to lead optimization in drug discovery. In the last years, some compounds derived from such methodology have progressed into clinical trials and it is estimated that this trend will increase in a…
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PharmScreen GUI v2.0 released: faster and easier! Request a demo

We have been working hard to bring up a new Graphical User Interface (GUI) based on feedback from many computational and medicinal chemists using PharmScreen. Today we are glad to announce that the version 2.0 of PharmScreen GUI has been released. Apart from different minor changes, the major improvements are related to ligand/library preparation and…
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HPC opportunities in Europe for Life Sciences

High-Performance Computing (HPC) has become a priority in Europe and it is called to be a strategic resource for the economic competitiveness [1]. It is used to model complex phenomena and is applied in fields such as Life Sciences, Physics, Climate research, Security or Engineering. HPC is also able to provide a high Return on Investment for…
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