All computational chemistry articles – Page 3
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Research
Plotting a course to new antibiotics
Mapping out the chemical space of peptide antibiotics offers an efficient way to find new compounds
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Opinion
Computational chemistry: a virtual reality?
Computers are getting better at modelling chemistry. But there are still many challenges to overcome.
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News
Will machine learning allow robots to take over?
How machines are adapting to solve chemical problems
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Research
Handy gel grips chemists
Researchers model responsive gels that mimic finger- and snail-like motion
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Careers
What skills will you need in 2026?
Andy Extance asks the experts how science jobs will change and where to focus your professional development
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News
Software could revolutionise chemistry
Computer program can tell chemists how to make new molecules from scratch
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News
Computational chemists take Nobel prize
‘Secret handshake’ that joined up quantum physics with classical molecular mechanics grabs science’s top gong
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Opinion
Turing’s machine
Alan Turing, perhaps not often remembered as a chemist, provided the starting point for computational chemistry
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