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Markus K. Dahlgren

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Journal Articles

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2019
[j3]
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  dblp key:
  - journals/jcisd/KonzeBDLTBRAB19
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  - https://dblp.org/rec/journals/jcisd/KonzeBDLTBRAB19
Kyle D. Konze, Pieter H. Bos, Markus K. Dahlgren, Karl Leswing, Ivan Tubert-Brohman, Andrea Bortolato, Braxton Robbason, Robert Abel, Sathesh Bhat:
Reaction-Based Enumeration, Active Learning, and Free Energy Calculations To Rapidly Explore Synthetically Tractable Chemical Space and Optimize Potency of Cyclin-Dependent Kinase 2 Inhibitors. J. Chem. Inf. Model. 59(9): 3782-3793 (2019)
2015
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  - journals/jcisd/SteinbrecherDCL15
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Thomas B. Steinbrecher, Markus K. Dahlgren, Daniel Cappel, Teng Lin, Lingle Wang, Goran Krilov, Robert Abel, Richard A. Friesner, Woody Sherman:
Accurate Binding Free Energy Predictions in Fragment Optimization. J. Chem. Inf. Model. 55(11): 2411-2420 (2015)
2013
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Markus K. Dahlgren, Patric Schyman, Julian Tirado-Rives, William L. Jorgensen:
Characterization of Biaryl Torsional Energetics and its Treatment in OPLS All-Atom Force Fields. J. Chem. Inf. Model. 53(5): 1191-1199 (2013)

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