cytochrome P-450

The 'Cytochrome P450' dataset/benchmark contains data related to the Cytochrome P450 enzyme system and is used to evaluate computational methods for simulating chemical reactions, particularly in the context of transition states.

Papers using cytochrome P-450 (2)

Rapid Dissipative Ground State Preparation at Chemical Transition States2026Mixed-precision ab initio tensor network state methods adapted for NVIDIA Blackwell technology via emulated FP64 arithmetic2025