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Hit identification for CCR2 using ultra-large virtual screening and FEP
Barcelona, Leiden and Uppsala, July 2nd 2024 – Pharmacelera, the leading provider of computational tools for hit discovery, the Leiden Academic Center
Barcelona, Leiden and Uppsala, July 2nd 2024 – Pharmacelera, the leading provider of computational tools for hit discovery, the Leiden Academic Center
Commercial chemical libraries have witnessed remarkable growth in recent years, resulting in an unprecedented increase in size and diversity. With advancements in
By Giorgia Zaetta There are more than six hundred and seventy-five duodecillion possible chemical structures, but only a part of them, approximately
We are happy to announce that PharmScreen, our virtual screening tool is available for Knime. Knime is a free open-source platform that
By Javier Vazquez – Dec. 11, 2019 Virtual Screening (VS) is a core in-silico technology in medicinal and computational chemistry. Several tools
Tautomerism, ionization and chirality are important factors to consider when building a compound library or when finding new hits. Tautomerism and ionization The
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
Virtual screening is a well-known approach in drug discovery projects to find new leads in virtual libraries of small molecules, but it
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