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Bochevarov, Art D.
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1

Comment on the Definition and Labeling of pK50:

Watson, Mark A. ; Johnston, Ryne C. ; Bochevarov, Art
Journal of Chemical Information and Modeling.  63 (2023)  17 - p. 5396-5399 , 2023
Link: https://doi.org/10.1021/..
 
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2

Discovery of a Novel Class of d-Amino Acid Oxidase Inhibito..:

Tang, Haifeng ; Jensen, Kristian ; Houang, Evelyne...
Journal of Medicinal Chemistry.  65 (2022)  9 - p. 6775-6802 , 2022
Link: https://doi.org/10.1021/..
 
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3

Accurate Quantum Chemical Calculation of Ionization Potenti..:

Li, Guangqi ; Rudshteyn, Benjamin ; Shee, James...
Journal of Chemical Theory and Computation.  16 (2020)  4 - p. 2109-2123 , 2020
Link: https://doi.org/10.1021/..
 
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4

Pattern-free generation and quantum mechanical scoring of r..:

Levine, Daniel S. ; Watson, Mark A. ; Jacobson, Leif D....
Journal of Computer-Aided Molecular Design.  35 (2020)  4 - p. 417-431 , 2020
Link: https://doi.org/10.1007/..
 
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5

Generation of Tautomers Using Micro-pKa's:

Watson, Mark A. ; Yu, Haoyu S. ; Bochevarov, Art D.
Journal of Chemical Information and Modeling.  59 (2019)  6 - p. 2672-2689 , 2019
Link: https://doi.org/10.1021/..
 
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6

Weighted Averaging Scheme and Local Atomic Descriptor for p..:

Yu, Haoyu S. ; Watson, Mark A. ; Bochevarov, Art D.
Journal of Chemical Information and Modeling.  58 (2018)  2 - p. 271-286 , 2018
Link: https://doi.org/10.1021/..
 
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7

Quantum chemicalprediction for complex organic molecules:

Philipp, Dean M. ; Watson, Mark A. ; Yu, Haoyu S...
International Journal of Quantum Chemistry.  118 (2017)  12 - p. , 2017
Link: https://doi.org/10.1002/..
 
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8

Automated Transition State Search and Its Application to Di..:

Jacobson, Leif D. ; Bochevarov, Art D. ; Watson, Mark A....
Journal of Chemical Theory and Computation.  13 (2017)  11 - p. 5780-5797 , 2017
Link: https://doi.org/10.1021/..
 
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9

Multiconformation, Density Functional Theory-Based pKa Pred..:

Bochevarov, Art D. ; Watson, Mark A. ; Greenwood, Jeremy R..
Journal of Chemical Theory and Computation.  12 (2016)  12 - p. 6001-6019 , 2016
Link: https://doi.org/10.1021/..
 
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10

Jaguar: A high‐performance quantum chemistry software progr..:

Bochevarov, Art D. ; Harder, Edward ; Hughes, Thomas F....
International Journal of Quantum Chemistry.  113 (2013)  18 - p. 2110-2142 , 2013
Link: https://doi.org/10.1002/..
 
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11

Empirical Conversion of pK(a) Values between Different Solv..:

Rossini, Emanuele ; Bochevarov, Art D ; Knapp, Ernst Walter
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641400/.  , 2018
Link: http://www.ncbi.nlm.nih...
 
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12

Large Computational Survey of Intrinsic Reactivity of Aroma..:

Daniel S. Levine ; Leif D. Jacobson ; Art D. Bochevarov
doi:10.1021/acs.jctc.3c00913.s003.  , 2023
Link: https://doi.org/10.1021/..
 
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13

Large Computational Survey of Intrinsic Reactivity of Aroma..:

Daniel S. Levine ; Leif D. Jacobson ; Art D. Bochevarov
doi:10.1021/acs.jctc.3c00913.s005.  , 2023
Link: https://doi.org/10.1021/..
 
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14

Large Computational Survey of Intrinsic Reactivity of Aroma..:

Daniel S. Levine ; Leif D. Jacobson ; Art D. Bochevarov
doi:10.1021/acs.jctc.3c00913.s001.  , 2023
Link: https://doi.org/10.1021/..
 
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15

Large Computational Survey of Intrinsic Reactivity of Aroma..:

Daniel S. Levine ; Leif D. Jacobson ; Art D. Bochevarov
doi:10.1021/acs.jctc.3c00913.s006.  , 2023
Link: https://doi.org/10.1021/..
 
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