Marilyn R. Gunner

Orcid: 0000-0003-1120-5776

According to our database1, Marilyn R. Gunner authored at least 4 papers between 2009 and 2021.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

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PhD thesis 
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Links

On csauthors.net:

Bibliography

2021
Overview of the SAMPL6 pK<sub>a</sub> challenge: evaluating small molecule microscopic and macroscopic pK<sub>a</sub> predictions.
J. Comput. Aided Mol. Des., 2021

Evaluation of log P, pK<sub>a</sub>, and log D predictions from the SAMPL7 blind challenge.
J. Comput. Aided Mol. Des., 2021

2020
Standard state free energies, not pK<sub>a</sub>s, are ideal for describing small molecule protonation and tautomeric states.
J. Comput. Aided Mol. Des., 2020

2009
MCCE2: Improving protein p<i>K</i><sub>a</sub> calculations with extensive side chain rotamer sampling.
J. Comput. Chem., 2009


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