AI in Drug Discovery: Chasing Dreams, Facing Realities
is AI the real deal in drug discovery? And if it is, how exactly is it going to disrupt the drug discovery process?
Read moreFrom Atoms To Words
is AI the real deal in drug discovery? And if it is, how exactly is it going to disrupt the drug discovery process?
Read moreMachine learning is all over: drug discovery, material design, protein structure prediction. As computational chemists, should we be worried?
Read moreHow astronomical is chemical space? Immensely so. How do we then discover & design the materials of tomorrow? Computation can give us a hand.
Read moreDive into the age-old debate: “Do we live in a simulation?” Explore experts’ views and join me as we weigh the arguments for and against.
Read moreChemical simulations as the third pillar of research and development? From atomistic insights to sustainability, explore 14 reasons why.
Read moreAfter decades of scientific pursuit, machine-learning based AlphaFold has revolutionized protein structure prediction.
Read moreFrom today’s computers in chemistry to 4 future scenarios of scientific discovery: A post-vacation musing.
Read moreNoncovalent interactions in proteins: the flexible wonders that bestow proteins the magic of three-dimensionality.
Read moreIf I swap the metal in my metal-organic framework, will it be moisture-stable? Soon, we could ask our personal language models for chemistry.
Read moreHow can we search through the 10^100 permutations of battery materials? The answer lies in computer-aided next-generation battery design.
Read moreThe computational design of MOFs to improve stability, mechanical properties, and catalytic capabilities can help save the planet.
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