Commercial chemical libraries have witnessed remarkable growth in recent years, resulting in an unprecedented increase in size and diversity. With advancements in high-throughput synthesis and
By Giorgia Zaetta There are more than six hundred and seventy-five duodecillion possible chemical structures, but only a part of them, approximately 1060, are potential
We are happy to announce that PharmScreen, our virtual screening tool is available for Knime. Knime is a free open-source platform that uses a modular
By Javier Vazquez – Dec. 11, 2019 Virtual Screening (VS) is a core in-silico technology in medicinal and computational chemistry. Several tools have been developed
Tautomerism, ionization and chirality are important factors to consider when building a compound library or when finding new hits. Tautomerism and ionization The interactions between a
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 an proliferation which
Virtual screening is a well-known approach in drug discovery projects to find new leads in virtual libraries of small molecules, but it is not clear
Check out our new user interface for PharmScreen! Perform virtual screening campaigns with just a few clicks and take advantage of Pharmacelera’s unique 3D hydrophobic
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