Precise calculations of binding free energy are pivotal in reducing the high costs and inefficiencies of drug discovery. A recent study presents PairMap, an innovative computational tool that ...

The most precise calculations yet of how two quarks locked in a bound state annihilate have been achieved using lattice quantum chromodynamics — and signal a curious discrepancy. Figure 1 ...

However, traditional methods to calculate free energy binding struggle ... we've achieved an unparalleled level of precision in our energy predictions," says Ohue. The team used two ligands ...