Maciej Spiegel🎉 New paper published with Prof. Pedro A. Fernandes, Dr. Ana Rita Calixto, and Roberto Pinto from Universidade do Porto!
We used QM/MM to map the catalytic mechanism of Bothrops asper sPLA2 (snake venom toxin) on the NOBA substrate.
The finding: A crucial mixed single-water/assisted water mechanism. This validates NOBA's use, giving researchers vital insights for anti-venom development! 🐍