What’s in a virtual screening dataset?

In my previous blogpost, I explained the main objectives of my project. During these weeks, I have focused towards the data analysis side of HPC rather than working on optimizing a program that runs on a super computer. I have been working to

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Selecting the true magical bullets

In the early 20th century, Paul Ehrlich laid the intelectual foundation of modern drug-design research through his inspirational concept of ‘magical bullets’. These ‘bullets’ are small chemical compounds with the ability to bind to biological targets, such as proteins or nucleic acids,

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Summer of HPC in Athens

When we got invited to SoHPC, both of us were very excited. Samanta was sitting with friends in a bar when she received an e-mail and celebrated it immediately. Juan had just woken up (cultural differences, am I right?) but

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Juan Eiros Zamora

Juan is a 23-year-old chemist from Barcelona, Spain. He did his undergraduate at the IQS university in Barcelona, and decided to continue his postgraduate studies abroad thanks to a scholarship provided by La Caixa. He finished his MRes in Chemical Biology

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