The database of 200 million protein-structure predictions now includes homodimers, adding new biological relevance.

In the era of A.I. agents, many Silicon Valley programmers are now barely programming. Instead, what they’re doing is deeply, ...

Computational chemistry describes the use of computer modelling and simulation – including ab initio approaches based on quantum chemistry, and empirical approaches – to study the structures and ...

An obituary of Tony Hoare, a pioneer and one of the greatest programmers in the early history of computing.