catalysis mechnism of ATPase

From: sunyeping (sunyeping_at_aliyun.com)
Date: Sun May 19 2019 - 06:30:07 CDT

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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