Practical Estimation of TCR-pMHC Binding Free-Energy Based on the Dielectric Model and the Coarse-Grained Model [chapter]

Hiromichi Tsurui, Takuya Takahashi
2012 Molecular Dynamics - Studies of Synthetic and Biological Macromolecules  
Recently, the energy representation (ER) method -where only the initial and final states of a molecular system need to be considered and the sampling cost is drastically decreased -is developed for the molecular solvation process by Matubayashi et al. (Matubayasi and Nakahara 2000; Matubayasi and Nakahara 2002) and will be applicable to the calculation of Molecular Dynamics -Studies of Synthetic and Biological Macromolecules
doi:10.5772/35881 fatcat:icj7lg65wvdczh2g7l3u4qx5bm