[GPU] This project series is the latest in our efforts to understand how accurately force fields model various aspects of protein dynamics. Here we focus of the globular protein Interleukin 2, or IL2. IL2 is an important immunomodulator, controlling whether cells activate or repress immune cell function. We hope these simulations will lead to a more comprehensive understanding of the biophysics at play during immune cell activation.
amber03 with tip3p water
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amber19sb with opc water
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aadisp with aadisp water
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