[PA] Poster A

[A-137P] Amino Acid Membrane Permeation Simulations Using gREST-ABMD

○Shingo Ito¹, Diego Ugarte La Torre², Yuji Sugita² (1. RIKEN・R-CCS, 2. Univ. of Tokyo)

Keywords:

Molecular Dynamics,Free Energy Calculation,Enhanced Sampling,Membrane Permeation,ABMD