Proofreading experimentally assigned stereochemistry through Q2MM predictions in Pd-catalyzed allylic aminations
Wahlers, Jessica, Margalef, Jèssica, Hansen, Eric, Bayesteh, Armita, Helquist, Paul, Diéguez, Montserrat, Pàmies, Oscar, Wiest, Olaf, Norrby, Per-Ola
Published in Nature communications (18.11.2021)
Published in Nature communications (18.11.2021)
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Journal Article
Solvation Structure and Concentration in Glyme-Based Sodium Electrolytes: A Combined Spectroscopic and Computational Study
Wahlers, Jessica, Fulfer, Kristen D, Harding, Drew P, Kuroda, Daniel G, Kumar, Revati, Jorn, Ryan
Published in Journal of physical chemistry. C (18.08.2016)
Published in Journal of physical chemistry. C (18.08.2016)
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Journal Article
On the use of real-world datasets for reaction yield prediction
Saebi, Mandana, Nan, Bozhao, Herr, John E, Wahlers, Jessica, Guo, Zhichun, Zura ski, Andrzej M, Kogej, Thierry, Norrby, Per-Ola, Doyle, Abigail G, Chawla, Nitesh V, Wiest, Olaf
Published in Chemical science (Cambridge) (17.05.2023)
Published in Chemical science (Cambridge) (17.05.2023)
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Journal Article
A Quantum-Guided Molecular Mechanics Force Field for the Ferrocene Scaffold
Wahlers, Jessica, Rosales, Anthony R., Berkel, Neil, Forbes, Aaron, Helquist, Paul, Norrby, Per-Ola, Wiest, Olaf
Published in Journal of organic chemistry (16.09.2022)
Published in Journal of organic chemistry (16.09.2022)
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Journal Article
Stereoselectivity Predictions for the Pd-Catalyzed 1,4-Conjugate Addition Using Quantum-Guided Molecular Mechanics
Wahlers, Jessica, Maloney, Michael, Salahi, Farbod, Rosales, Anthony R, Helquist, Paul, Norrby, Per-Ola, Wiest, Olaf
Published in Journal of organic chemistry (16.04.2021)
Published in Journal of organic chemistry (16.04.2021)
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Journal Article
DIMERIC COMPOUNDS AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF
TZITZILONIS, Christos, ZIEBENHAUS, Chris, WAHLERS, Jessica, LEE, Patrick Sang Tae, FASTMAN, Nathan, MELLEM, Kevin, MORGANS, David John, SCHAMMEL, Alexander Wayne, SINZ, Christopher Joseph
Year of Publication 21.03.2024
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Year of Publication 21.03.2024
Patent
INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF
TZITZILONIS, Christos, LIU, Yuxi, WAHLERS, Jessica, LEE, Patrick Sang Tae, FASTMAN, Nathan, PITZEN, Jennifer, MELLEM, Kevin, COOPER, Nicole, MORGANS, JR, DE LA HIGUERA MACIAS, Maximiliano, SINZ, Christopher Joseph
Year of Publication 30.05.2024
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Year of Publication 30.05.2024
Patent
INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF
ZIEBENHAUS, Chris, LEE, Patrick Sang Tae, FASTMAN, Nathan, MELLEM, Kevin, KARMEL, Caleb Henry, COOPER, Nicole, MORGANS, JR, SCHAMMEL, Alexander Wayne, MACIAS, Maximiliano De La Higuera, TZITZILONIS, Christos, WAHLERS, Jessica, LIU, Yuxi, PITZEN, Jennifer, REID, Adam Neil, SINZ, Christopher Joseph
Year of Publication 30.05.2024
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Year of Publication 30.05.2024
Patent
INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF
TZITZILONIS, Christos, LIU, Yuxi, WAHLERS, Jessica, FASTMAN, Nathan, LEE, Patrick Sang Tae, MELLEM, Kevin, PITZEN, Jennifer, COOPER, Nicole, MORGANS, JR, ZIEBENHAUS, Christopher Allen, SCHAMMEL, Alexander Wayne, SINZ, Christopher Joseph
Year of Publication 30.05.2024
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Year of Publication 30.05.2024
Patent
INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF
ZIEBENHAUS, Chris, LEE, Patrick Sang Tae, FASTMAN, Nathan, MELLEM, Kevin, KARMEL, Caleb Henry, COOPER, Nicole, MORGANS, JR, SCHAMMEL, Alexander Wayne, MACIAS, Maximiliano De La Higuera, TZITZILONIS, Christos, WAHLERS, Jessica, LIU, Yuxi, PITZEN, Jennifer, REID, Adam Neil, SINZ, Christopher Joseph
Year of Publication 18.04.2024
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Year of Publication 18.04.2024
Patent
INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF
Morgans, JR., David John, Sinz, Christopher Joseph, Tzitzilonis, Christos, Lee, Patrick Sang Tae, Fastman, Nathan, Liu, Yuxi, Karmel, Caleb Henry, Ziebenhaus, Chris, Wahlers, Jessica, Mellem, Kevin, PITZEN, Jennifer, De La Higuera Macias, Maximiliano, Cooper, Nicole, Reid, Adam Neil, Schammel, Alexander Wayne
Year of Publication 20.06.2024
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Year of Publication 20.06.2024
Patent
Inhibitors of solute carrier family 6A member 19 (SLC6A19) and methods of use thereof
PITZEN, JENNIFER, TZITZILONIS, CHRISTOS, COOPER, NICOLE, WAHLERS, JESSICA, LEE, PATRICK SANG TAE, ZIEBENHAUS, CHRIS, SCHAMMEL, ALEXANDER WAYNE, LIU, YU-XI, MELLEM, KEVIN, SINZ, CHRISTOPHER JOSEPH, MORGANS, DAVID JOHN JR, REID, ADAM NEIL, DE LA HIGUERA MACIAS, MAXIMILIANO, FASTMAN, NATHAN, KARMEL, CALEB HENRY
Year of Publication 16.08.2024
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Year of Publication 16.08.2024
Patent