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Spronk, Steven A.
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1

A physics-aware neural network for protein–ligand interacti..:

Glick, Zachary L. ; Metcalf, Derek P. ; Glick, Caroline S....
Chemical Science.  , 2024
Link: https://doi.org/10.1039/..
 
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2

A quantum chemical interaction energy dataset for accuratel..:

Spronk, Steven A. ; Glick, Zachary L. ; Metcalf, Derek P...
Scientific Data.  10 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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3

CLIFF: A component-based, machine-learned, intermolecular f..:

Schriber, Jeffrey B. ; Nascimento, Daniel R. ; Koutsoukas, Alexios...
The Journal of Chemical Physics.  154 (2021)  18 - p. , 2021
Link: https://doi.org/10.1063/..
 
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4

Electron-Passing Neural Networks for Atomic Charge Predicti..:

Metcalf, Derek P. ; Jiang, Andy ; Spronk, Steven A...
Journal of Chemical Information and Modeling.  61 (2020)  1 - p. 115-122 , 2020
Link: https://doi.org/10.1021/..
 
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5

Discovery and structure activity relationships of 7-benzyl ..:

Shaw, Scott A. ; Vokits, Benjamin P. ; Dilger, Andrew K....
Bioorganic & Medicinal Chemistry.  28 (2020)  22 - p. 115723 , 2020
Link: https://doi.org/10.1016/..
 
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6

Approaches for machine learning intermolecular interaction ..:

Metcalf, Derek P. ; Koutsoukas, Alexios ; Spronk, Steven A....
The Journal of Chemical Physics.  152 (2020)  7 - p. , 2020
Link: https://doi.org/10.1063/..
 
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7

AP-Net: An atomic-pairwise neural network for smooth and tr..:

Glick, Zachary L. ; Metcalf, Derek P. ; Koutsoukas, Alexios...
The Journal of Chemical Physics.  153 (2020)  4 - p. 044112 , 2020
Link: https://doi.org/10.1063/..
 
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8

Improving Accuracy, Diversity, and Speed with Prime Macrocy..:

Sindhikara, Dan ; Spronk, Steven A. ; Day, Tyler...
Journal of Chemical Information and Modeling.  57 (2017)  8 - p. 1881-1894 , 2017
Link: https://doi.org/10.1021/..
 
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9

4‐Benzothiazole‐7‐hydroxyindolinyl Diaryl Ureas Are Potent ..:

Qiao, Jennifer X. ; Wang, Tammy C. ; Hiebert, Sheldon...
ChemMedChem.  9 (2014)  10 - p. 2327-2343 , 2014
Link: https://doi.org/10.1002/..
 
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10

Conformationally Constrained ortho-Anilino Diaryl Ureas: Di..:

Qiao, Jennifer X. ; Wang, Tammy C. ; Ruel, Réjean...
Journal of Medicinal Chemistry.  56 (2013)  22 - p. 9275-9295 , 2013
Link: https://doi.org/10.1021/..
 
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11

The role of tyrosine 71 in modulating the flap conformation..:

Spronk, Steven A. ; Carlson, Heather A.
Proteins: Structure, Function, and Bioinformatics.  79 (2011)  7 - p. 2247-2259 , 2011
Link: https://doi.org/10.1002/..
 
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12

The Electronic Structure and Vibrational Spectrum of trans-..:

DeKock, Roger L. ; McGuire, Michael J. ; Piecuch, Piotr...
The Journal of Physical Chemistry A.  108 (2004)  15 - p. 2893-2903 , 2004
Link: https://doi.org/10.1021/..
 
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13

Reaction of NH (X) with Oxygen in a Solid Xenon Matrix:  Fo..:

Laursen, Sandra L. ; Grace,, James E. ; DeKock, Roger L..
Journal of the American Chemical Society.  120 (1998)  48 - p. 12583-12594 , 1998
Link: https://doi.org/10.1021/..
 
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14

A quantum chemical interaction energy dataset for accuratel..:

Spronk, Steven A ; Glick, Zachary L ; Metcalf, Derek P..
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10497680/.  , 2023
Link: http://www.ncbi.nlm.nih...
 
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15

The Role of Tyrosine 71 in Modulating the Flap Conformation..:

Spronk, Steven A ; Carlson, Heather A
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3577374.  , 2011
Link: http://www.ncbi.nlm.nih...
 
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