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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].
March 21, 2018
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High-Performance Computing (HPC) has become a priority in Europe and it is called to be a strategic resource for the economic competitiveness [1].
Despite the large number of advances in the scientific and technical field underlying the drug discovery process (DNA sequencing, molecular biology, structural
Tautomerism, ionization and chirality are important factors to consider when building a compound library or when finding new hits. Tautomerism and ionization The
Professor Javier Luque (h-index of 66), Pharmacelera’s Scientific Director, has received the 10th edition award from the Boschi Gimpera Foundation for his
Pim-1 is an oncogene-encoded serine/threonine kinase. Originally identified in Maloney murine leukaemia, it is involved in several cellular functions associated with survival
Computational chemistry has been embraced by drug discovery as a key complementary technology to medicinal and organic chemistry [1]. For instance, several
Virtual screening is a well-known approach in drug discovery projects to find new leads in virtual libraries of small molecules, but it
By Alessandro Deplano – Sep. 20, 2017 NOTE: THERE IS A NEW VERSION OF THIS SCRIPT. VISIT THIS PAGE TO DOWNLOAD IT.
Enric Herrero, Pharmacelera’s CTO, is giving a talk about conformation generation at the RDKit User Group Meeting, held in Berlin from Sept
Check out our new user interface for PharmScreen! Perform virtual screening campaigns with just a few clicks and take advantage of Pharmacelera’s
PharmScreen field-based alignment outperforms traditional solutions by taking into account relevant ligand characteristics related with ligand-receptor interaction.PharmScreen superior alignment allows finding better
Using scientific software can be frustrating and time-consuming if user experience has not been taken into account, resulting in less productive research.
Does the accuracy of quantum-mechanical (QM) descriptors at density functional theory (DFT) level justify its computational requirements for molecular superposition? In this
Pharmacelera is going to attend BIO International Convention this June in San Diego. Don’t miss the opportunity to meet us and know
The Center for the Development of Industrial Technology ranks Pharmacelera in the top 5% most innovative companies of 2016 and, as such,
This image shows a successful small-molecule alignment using a multi-reference strategy on a set of D2/D4 inhibitors. As it can be observed,