Lv3
268 积分 2021-08-29 加入
Ecological modelling approaches for predicting emergent properties in microbial communities
18天前
已完结
Computational Tale of Two Enzymes: Glycerol Dehydration With or Without B12
2个月前
已完结
Convergence of Theory and Experiment on the Role of Preorganization, Quantum Tunneling, and Enzyme Motions into Flavoenzyme-Catalyzed Hydride Transfer
2个月前
已完结
A protocol to obtain multidimensional quantum tunneling corrections derived from QM(DFT)/MM calculations for an enzyme reaction
2个月前
已完结
Polyrate 2023: A computer program for the calculation of chemical reaction rates for polyatomics. New version announcement
2个月前
已完结
QM/MM Methods
3个月前
已关闭
Open-Source Multi-GPU-Accelerated QM/MM Simulations with AMBER and QUICK
3个月前
已完结
Unraveling the Catalytic Mechanism of Taxadiene-5α-hydroxylase from Crystallography and Computational Analyses
3个月前
已完结
Accurate Free Energies for Complex Condensed-Phase Reactions Using an Artificial Neural Network Corrected DFTB/MM Methodology
3个月前
已完结
Role of Water in the Puzzling Mechanism of the Final Aromatization Step Promoted by the Human Aromatase Enzyme. Insights from QM/MM MD Simulations
3个月前
已完结
皖公网安备34019202002308
