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On the front cover: Brownian Dynamics Simulations of Proteins in the Presence of Surfaces
Brownian dynamics simulations are well-suited to study processes governed by diffusion, such as the adsorption of protein molecules to a mica …
Putting computing power together against SARS-CoV-2
European scientists identified potent inhibitors of the SARS-CoV-2 main protease, a promising target for antiviral compounds.
MGMS Lecture: Rebecca Wade
Rebecca Wade, leader of the Molecular Modeling (MCM) group, is the lecturer for the 2020 Molecular Graphics and Modelling Society (MGMS) Lecture …
Registration open: Biological Diffusion and Brownian Dynamics Brainstorm 5 (BDBDB5)
Biological Diffusion and Brownian Dynamics Brainstorm 5 (BDBDB5: https://bdbdb.h-its.org/) will take place in virtual format on 24-25 …
DFG funds HITS research on SARS CoV-2 spike glycoprotein
The SARS-CoV2 virus is notorious for its characteristic spike protein that helps the virus to invade cells. Rebecca Wade and the …
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 …
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