A valence fit to existing small molecule and protein data, experimenting with torsion priors to allow larger changes from the initial parameters.
Excerpt |
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A valence fit to existing QM small molecule + protein data with looser torsion priors. |
...
A valence fit to existing small molecule and protein data, experimenting with torsion priors to allow larger changes from the initial parameters.
Excerpt |
---|
A valence fit to existing QM small molecule + protein data with looser torsion priors. |
...