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Journal of Chemical Theory and Computation
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April 6, 2023
Epik: p<i>K</i><sub>a</sub> and Protonation State Prediction through Machine Learning
Ryne C Johnston, Kun Yao, Zachary Kaplan, et al.
The Journal of Physical Chemistry. A
|
August 3, 2021
<i>De Novo</i> Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen
Gabriel Marques, Karl Leswing, Tim Robertson, et al.
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Search research articles
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Showing results (11-20 of 12) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 12 results.
Journal of Chemical Theory and Computation
|
April 6, 2023
Epik: p<i>K</i><sub>a</sub> and Protonation State Prediction through Machine Learning
Ryne C Johnston, Kun Yao, Zachary Kaplan, et al.
The Journal of Physical Chemistry. A
|
August 3, 2021
<i>De Novo</i> Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen
Gabriel Marques, Karl Leswing, Tim Robertson, et al.
Page
of 2