Hi everyone,
Several research articles have showed that MC method exhibited more powerful to protein sampling than MD method. I am wondering that MC could be more suitable for protein design?
Recently, I have performed long term MD method for protein design (3µs). However, I have repeated long-term MD simulation to evaluate binding affinity improvement through MM-GBSA. I found that reproducibility of MD could be a issue.
Maybe this could be protein sampling problem?
Could anyone give some suggestions?
Thanks
Lei
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Received on Tue Jun 05 2018 - 20:30:03 PDT
