[AMBER] Catalysis mechanism of ATPase

From: sunyeping <sunyeping.aliyun.com>
Date: Sun, 19 May 2019 19:29:35 +0800

Dear all,

I wish to investigate the catalysis mechanism of ATPase which hydrolyze ATP into ADP and pi. Can the bond breaking process simulated by molecular dynamcis simulation with amber? I know MM/QM may do this, but what will the time scale be? Is it feasible in a usual workstation with GPU?

Best regards.
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Received on Sun May 19 2019 - 05:00:01 PDT
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