Integrated Database Construction
Jan. 24, 2021—Bailu (Lucy) Yan, along with Li Yuan and Sarah Torrence, is leading the development of an integrated database for enzyme structure and kinetics. https://github.com/ZJYgrp/database_construction/
EnzyHTP: A High-Throughput Computational Platform for Enzyme Modeling
Jan. 24, 2021—EnzyHTP is a holistic platform that allows high-throughput molecular simulation of enzymes. The large-scale collection of molecular simulation data presents a significant challenge due to complex demands. To build an enzyme model appropriate for simulations, multiple hierarchies of structural definitions and treatments must be established such as protein stoichiometry, binding site, predicting amino acid protonation...