News
New tools for computing protein-ligand dissociation rates and exploring dissociation mechanisms
The length of time that a drug molecule spends bound to its protein target – its residence time – is an important determinant …
Why scientists should be on twitter
Twitter has been around since 2006 and currently has around 330 million active users (as of October 2020) making it one of the most …
Women in academia during the COVID-19 pandemic
Last month, the European Molecular Biology Laboratory (EMBL) organized a virtual conference on “The impact of the COVID-19 crisis on women …
Women in Computational Chemistry
The Journal of Chemical Information and Modeling (JCIM) published a special issue on “Women in Computational Chemistry” in May 2019 to address …
Supercomputing time for HITS research against Covid-19
Rebecca Wade from the Molecular and Celullar Modeling (MCM) group at HITS was awarded 3,250,000 core hours on the Marconi cluster at …
Hunting for the molecular Achilles heel of Sars-CoV-2
HITS Researchers are collaborating on drug discovery against SARS-Cov-2, the virus that causes Covid-19 disease. Rebecca Wade and her group are …
New version of TRAPP released
Version 4 uses machine learning and molecular simulation to predict druggability Researchers from the Molecular and Cellular Modeling (MCM) group at HITS …
From Brazil to Germany: Challenges and Advantages
An Interview with HITS researcher Ariane Nunes-Alves about her experiences in Brazil and Germany. You were born and raised in Sã…
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