Molecular Modeling of Membrane Proteins using computer simulation and comparison with experimental data

MD simulation of membrane protein

Molecular dynamics (MD) simulation is applied to Sarcolipin (31 amino acids transmembrane protein). Analysis focused on fast motion and slow motion is compared with Solution NMR and Solid State NMR (SSNMR).

• Force field (Charmm(c32a2))

• Simulation details

• Comparison with solution NMR