Events
Nov 10th, Mini-Workshop on Computational Frontiers in Biological Dynamics, HKBU.
Jan 6th 2024, The 6th Symposium on Biophysics Postgraduate Research in Hong Kong, Hong Kong Baptist University (HKBU).
Dataset from our research work:
Temperature-dependent interactions between amino acid side chain analog from MD simulations with CHARMM force fields, see Chen and Zeng (2026).
Temperature-dependent hydration free energy for amino acid side chain analog calculated from MD simulations with polarizable force fields AMOEBA, see Zeng et al APL Material (2021). .
The hydration free energy for charged amino acids is also discussed in Fossat et al JPCB (2021).
Hydration free energy of proton estimated from different methods, see Table 1 in Fossat et al JPCB (2021).