Re: [AMBER] Discrepancy in experimental and MMPBSA pattern of
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From
: Matthew Guberman-Pfeffer <
matthew.guberman-pfeffer.uconn.edu
>
Date
: Tue, 6 Apr 2021 15:06:43 -0400
The below is a beautiful review on the accuracy and limitations of MM-GBSA, what parameters to play with, and what settings have been recommended for other systems:
https://pubs.acs.org/doi/abs/10.1021/acs.chemrev.9b00055
<
https://pubs.acs.org/doi/abs/10.1021/acs.chemrev.9b00055
>
> On Apr 6, 2021, at 3:00 PM, amber-request.ambermd.org wrote:
>
> Discrepancy in experimental and MMPBSA pattern of
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