Conformer generation is one of the first and most important steps in most ligand based experiments, particularly when the ligand’s 3D structure is unknown. For example, the quality of the conformers could affect the results of virtual screening experiments. At Pharmacelera we have written a python script to generate conformations with RDKit1, one of the…Read more
About: Enric Herrero
Recent Posts by Enric Herrero
Pharmacelera has been selected as one of the finalists of the Startup Challenge 2016 program organized by the Pistoia Alliance! This is an alliance from the pharmaceutical industry that is promoted by 8 of the top 10 pharma companies and other relevant service providers from the industry. As a result, Pharmacelera will perform a pitch…Read more
Pharmacelera has attended BIOSPAIN 2016 in Bilbao. BIOSPAIN is the largest biotech event organized by a national bioindustry association in Europe and one of the largest in the world by the number of one-to-one meetings (+3.300) and companies participating (+850). BIOSPAIN is organized by ASEBIO, the Spanish Bioindustry Association and each edition is co-organized by…Read more
Pharmacelera's CEO, Enric Gibert has been selected as member of the Industrial Advisory Committee (IAC) of PRACE. This membership is aligned with Pharmacelera's strategy of becoming a leader in high performance computing for drug design and influencing the European HPC agenda. Pharmacelera's expertise in parallelization and hardware acceleration is used in Pharmacelera's products (PharmScreen and…Read more
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