Yurii S Moroz (Yurii Moroz)

Scopus Author ID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 58

Top Topics

Molecular Dynamics Simulations

Respiratory Syndrome Coronavirus

Top Venues

Journal of medicinal chemistry

Science (New York, N.Y.)

Proceedings of the National Academy of Sciences of the United States of America

bioRxiv : the preprint server for biology

This page only lists publications with an associated author ORCID identifier.

Publications

Victor Hernandez-Olmos, Jan Heering, Beatrice Marinescu, Tina Weiß, Vladimir V Ivanov, Yurii S Moroz, Sheila Nevermann, Marius Mathes, Johanna H M Ehrler, Mohamad Wessam Alnouri, Markus Wolf, Alicia S Haydo, Tessa Schmachtel, Andrea Zaliani, Georg Höfner, Astrid Kaiser, Manfred Schubert-Zsilavecz, Annette G Beck-Sickinger, Stefan Offermanns, Philipp Gribbon, Michael A Rieger, Daniel Merk, Marco Sisignano, Dieter Steinhilber, Ewgenij Proschak
Development of a Potent and Selective G2A (GPR132) Agonist. Journal of medicinal chemistry 67 (13) (2024)
Christian J Muñoz Sosa, Christopher Lenz, Anton Hamann, Frederic Farges, Johannes Dopfer, Andreas Krämer, Veronika Cherkashyna, Andrey Tarnovskiy, Yurii S Moroz, Ewgenij Proschak, Václav Němec, Susanne Müller, Krishna Saxena, Stefan Knapp
A C-Degron Structure-Based Approach for the Development of Ligands Targeting the E3 Ligase TRIM7. ACS chemical biology (2024)
Jiankun Lyu, Nicholas J Kapolka, Ryan Gumpper, Assaf Alon, Liang Wang, Manish Kumar Jain, Ximena Barros-Álvarez, Kensuke Sakamoto, Yoojoong Kim, Jeffrey F DiBerto, Kuglae Kim, Isabella S Glenn, Tia A Tummino, Sijie Huang, John J Irwin, Olga O Tarkhanova, Yurii S Moroz, Georgios Skiniotis, Andrew C Kruse, Brian K Shoichet, Bryan L Roth
AlphaFold2 structures guide prospective ligand discovery. Science (New York, N.Y.) 384 (6702) (2024)
Victor Hernandez-Olmos, Jan Heering, Beatrice Marinescu, Tina Weiß, Vladimir V Ivanov, Yurii S Moroz, Sheila Nevermann, Marius Mathes, Johanna H M Ehrler, Mohamad Wessam Alnouri, Markus Wolf, Alicia S Haydo, Tessa Schmachtel, Andrea Zaliani, Georg Höfner, Astrid Kaiser, Manfred Schubert-Zsilavecz, Annette G Beck-Sickinger, Stefan Offermanns, Philipp Gribbon, Michael A Rieger, Daniel Merk, Marco Sisignano, Dieter Steinhilber, Ewgenij Proschak
Development of a Potent and Selective G2A (GPR132) Agonist. Journal of medicinal chemistry 67 (13) (2024)
Evgen V Govor, Vasyl Naumchyk, Ihor Nestorak, Dmytro S Radchenko, Dmytro Dudenko, Yurii S Moroz, Olexiy D Kachkovsky, Oleksandr O Grygorenko
Generation of multimillion chemical space based on the parallel Groebke-Blackburn-Bienaymé reaction. Beilstein journal of organic chemistry 20 (2024)
Kaylen R Meeks, Juan Ji, Mykola V Protopopov, Olga O Tarkhanova, Yurii S Moroz, John J Tanner
Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. Journal of chemical information and modeling 64 (5) (2024)
Jiankun Lyu, Nicholas J Kapolka, Ryan Gumpper, Assaf Alon, Liang Wang, Manish Kumar Jain, Ximena Barros-Álvarez, Kensuke Sakamoto, Yoojoong Kim, Jeffrey F DiBerto, Kuglae Kim, Isabella S Glenn, Tia A Tummino, Sijie Huang, John J Irwin, Olga O Tarkhanova, Yurii S Moroz, Georgios Skiniotis, Andrew C Kruse, Brian K Shoichet, Bryan L Roth
AlphaFold2 structures guide prospective ligand discovery. Science (New York, N.Y.) 384 (6702) (2024)
Jiankun Lyu, Nicholas J Kapolka, Ryan Gumpper, Assaf Alon, Liang Wang, Manish Kumar Jain, Ximena Barros-Álvarez, Kensuke Sakamoto, Yoojoong Kim, Jeffrey F DiBerto, Kuglae Kim, Isabella S Glenn, Tia A Tummino, Sijie Huang, John J Irwin, Olga O Tarkhanova, Yurii S Moroz, Georgios Skiniotis, Andrew C Kruse, Brian K Shoichet, Bryan L Roth
AlphaFold2 structures guide prospective ligand discovery. Science (New York, N.Y.) 384 (6702) (2024)
Kaylen R Meeks, Juan Ji, Mykola V Protopopov, Olga O Tarkhanova, Yurii S Moroz, John J Tanner
Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. Journal of chemical information and modeling (2024)
Kaylen R Meeks, Juan Ji, Mykola V Protopopov, Olga O Tarkhanova, Yurii S Moroz, John J Tanner
Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. Journal of chemical information and modeling 64 (5) (2024)
Jiankun Lyu, Nicholas J Kapolka, Ryan Gumpper, Assaf Alon, Liang Wang, Manish Kumar Jain, Ximena Barros-Álvarez, Kensuke Sakamoto, Yoojoong Kim, Jeffrey F DiBerto, Kuglae Kim, Isabella S Glenn, Tia A Tummino, Sijie Huang, John J Irwin, Olga O Tarkhanova, Yurii S Moroz, Georgios Skiniotis, Andrew C Kruse, Brian K Shoichet, Bryan L Roth
AlphaFold2 structures guide prospective ligand discovery. Science (New York, N.Y.) 384 (6702) (2024)
Vasyl Naumchyk, Vladyslav A Andriashvili, Dmytro S Radchenko, Dmytro Dudenko, Yurii S Moroz, Andrey A Tolmachev, Serhii Zhersh, Oleksandr O Grygorenko
S N Ar or Sulfonylation? Chemoselective Amination of Halo(het)arene Sulfonyl Halides for Synthetic Applications and Ultralarge Compound Library Design. The Journal of organic chemistry 89 (5) (2024)
Tia A Tummino, Christos Illiopoulis-Tsoutsouvas, Joao M Braz, Evan S O'Brien, Reed M Stein, Veronica Craik, Ngan K Tran, Suthakar Ganapathy, Fangyu Liu, Yuki Shiimura, Fei Tong, Thanh C Ho, Dmytro S Radchenko, Yurii S Moroz, Sian Rodriguez Rosado, Karnika Bhardwaj, Jorge Benitez, Yong-Feng Liu, Herthana Kandasamy, Claire Normand, Meriem Semache, Laurent Sabbagh, Isabella Glenn, John J Irwin, Kaavya Krishna Kumar, Alexandros Makriyannis, Allan I Basbaum, Brian K Shoichet
Large library docking for cannabinoid-1 receptor agonists with reduced side effects. bioRxiv : the preprint server for biology (2024)
Christian J Muñoz Sosa, Christopher Lenz, Anton Hamann, Frederic Farges, Johannes Dopfer, Andreas Krämer, Veronika Cherkashyna, Andrey Tarnovskiy, Yurii S Moroz, Ewgenij Proschak, Václav Němec, Susanne Müller, Krishna Saxena, Stefan Knapp
A C-Degron Structure-Based Approach for the Development of Ligands Targeting the E3 Ligase TRIM7. ACS chemical biology 19 (7) (2024)
Tia A Tummino, Christos Illiopoulis-Tsoutsouvas, Joao M Braz, Evan S O'Brien, Reed M Stein, Veronica Craik, Ngan K Tran, Suthakar Ganapathy, Fangyu Liu, Yuki Shiimura, Fei Tong, Thanh C Ho, Dmytro S Radchenko, Yurii S Moroz, Sian Rodriguez Rosado, Karnika Bhardwaj, Jorge Benitez, Yong-Feng Liu, Herthana Kandasamy, Claire Normand, Meriem Semache, Laurent Sabbagh, Isabella Glenn, John J Irwin, Kaavya Krishna Kumar, Alexandros Makriyannis, Allan I Basbaum, Brian K Shoichet
Large library docking for cannabinoid-1 receptor agonists with reduced side effects. bioRxiv : the preprint server for biology (2024)
Victor Hernandez-Olmos, Jan Heering, Beatrice Marinescu, Tina Weiß, Vladimir V Ivanov, Yurii S Moroz, Sheila Nevermann, Marius Mathes, Johanna H M Ehrler, Mohamad Wessam Alnouri, Markus Wolf, Alicia S Haydo, Tessa Schmachtel, Andrea Zaliani, Georg Höfner, Astrid Kaiser, Manfred Schubert-Zsilavecz, Annette G Beck-Sickinger, Stefan Offermanns, Philipp Gribbon, Michael A Rieger, Daniel Merk, Marco Sisignano, Dieter Steinhilber, Ewgenij Proschak
Development of a Potent and Selective G2A (GPR132) Agonist. Journal of medicinal chemistry 67 (13) (2024)
Victor Hernandez-Olmos, Jan Heering, Beatrice Marinescu, Tina Weiß, Vladimir V Ivanov, Yurii S Moroz, Sheila Nevermann, Marius Mathes, Johanna H M Ehrler, Mohamad Wessam Alnouri, Markus Wolf, Alicia S Haydo, Tessa Schmachtel, Andrea Zaliani, Georg Höfner, Astrid Kaiser, Manfred Schubert-Zsilavecz, Annette G Beck-Sickinger, Stefan Offermanns, Philipp Gribbon, Michael A Rieger, Daniel Merk, Marco Sisignano, Dieter Steinhilber, Ewgenij Proschak
Development of a Potent and Selective G2A (GPR132) Agonist. Journal of medicinal chemistry (2024)
Tia A Tummino, Christos Illiopoulis-Tsoutsouvas, Joao M Braz, Evan S O'Brien, Reed M Stein, Veronica Craik, Ngan K Tran, Suthakar Ganapathy, Fangyu Liu, Yuki Shiimura, Fei Tong, Thanh C Ho, Dmytro S Radchenko, Yurii S Moroz, Sian Rodriguez Rosado, Karnika Bhardwaj, Jorge Benitez, Yong-Feng Liu, Herthana Kandasamy, Claire Normand, Meriem Semache, Laurent Sabbagh, Isabella Glenn, John J Irwin, Kaavya Krishna Kumar, Alexandros Makriyannis, Allan I Basbaum, Brian K Shoichet
Large library docking for cannabinoid-1 receptor agonists with reduced side effects. bioRxiv : the preprint server for biology (2024)
Vasyl Naumchyk, Vladyslav A Andriashvili, Dmytro S Radchenko, Dmytro Dudenko, Yurii S Moroz, Andrey A Tolmachev, Serhii Zhersh, Oleksandr O Grygorenko
S N Ar or Sulfonylation? Chemoselective Amination of Halo(het)arene Sulfonyl Halides for Synthetic Applications and Ultralarge Compound Library Design. The Journal of organic chemistry (2024)
Evgen V Govor, Vasyl Naumchyk, Ihor Nestorak, Dmytro S Radchenko, Dmytro Dudenko, Yurii S Moroz, Olexiy D Kachkovsky, Oleksandr O Grygorenko
Generation of multimillion chemical space based on the parallel Groebke-Blackburn-Bienaymé reaction. Beilstein journal of organic chemistry 20 (2024)
Kaylen R Meeks, Juan Ji, Mykola V Protopopov, Olga O Tarkhanova, Yurii S Moroz, John J Tanner
Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. Journal of chemical information and modeling 64 (5) (2024)
Jiankun Lyu, Nicholas J Kapolka, Ryan Gumpper, Assaf Alon, Liang Wang, Manish Kumar Jain, Ximena Barros-Álvarez, Kensuke Sakamoto, Yoojoong Kim, Jeffrey F DiBerto, Kuglae Kim, Isabella S Glenn, Tia A Tummino, Sijie Huang, John J Irwin, Olga O Tarkhanova, Yurii S Moroz, Georgios Skiniotis, Andrew C Kruse, Brian K Shoichet, Bryan L Roth
AlphaFold2 structures guide prospective ligand discovery. Science (New York, N.Y.) (2024)
Kaylen R Meeks, Juan Ji, Mykola V Protopopov, Olga O Tarkhanova, Yurii S Moroz, John J Tanner
Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. Journal of chemical information and modeling 64 (5) (2024)
Jiankun Lyu, Nicholas J Kapolka, Ryan Gumpper, Assaf Alon, Liang Wang, Manish Kumar Jain, Ximena Barros-Álvarez, Kensuke Sakamoto, Yoojoong Kim, Jeffrey F DiBerto, Kuglae Kim, Isabella S Glenn, Tia A Tummino, Sijie Huang, John J Irwin, Olga O Tarkhanova, Yurii S Moroz, Georgios Skiniotis, Andrew C Kruse, Brian K Shoichet, Bryan L Roth
AlphaFold2 structures guide prospective ligand discovery. Science (New York, N.Y.) 384 (6702) (2024)
Tia A Tummino, Christos Illiopoulis-Tsoutsouvas, Joao M Braz, Evan S O'Brien, Reed M Stein, Veronica Craik, Ngan K Tran, Suthakar Ganapathy, Fangyu Liu, Yuki Shiimura, Fei Tong, Thanh C Ho, Dmytro S Radchenko, Yurii S Moroz, Sian Rodriguez Rosado, Karnika Bhardwaj, Jorge Benitez, Yong-Feng Liu, Herthana Kandasamy, Claire Normand, Meriem Semache, Laurent Sabbagh, Isabella Glenn, John J Irwin, Kaavya Krishna Kumar, Alexandros Makriyannis, Allan I Basbaum, Brian K Shoichet
Large library docking for cannabinoid-1 receptor agonists with reduced side effects. bioRxiv : the preprint server for biology (2024)
Tia A Tummino, Christos Illiopoulis-Tsoutsouvas, Joao M Braz, Evan S O'Brien, Reed M Stein, Veronica Craik, Ngan K Tran, Suthakar Ganapathy, Fangyu Liu, Yuki Shiimura, Fei Tong, Thanh C Ho, Dmytro S Radchenko, Yurii S Moroz, Sian Rodriguez Rosado, Karnika Bhardwaj, Jorge Benitez, Yong-Feng Liu, Herthana Kandasamy, Claire Normand, Meriem Semache, Laurent Sabbagh, Isabella Glenn, John J Irwin, Kaavya Krishna Kumar, Alexandros Makriyannis, Allan I Basbaum, Brian K Shoichet
Large library docking for cannabinoid-1 receptor agonists with reduced side effects. bioRxiv : the preprint server for biology (2024)
Tia A Tummino, Christos Illiopoulis-Tsoutsouvas, Joao M Braz, Evan S O'Brien, Reed M Stein, Veronica Craik, Ngan K Tran, Suthakar Ganapathy, Fangyu Liu, Yuki Shiimura, Fei Tong, Thanh C Ho, Dmytro S Radchenko, Yurii S Moroz, Sian Rodriguez Rosado, Karnika Bhardwaj, Jorge Benitez, Yong-Feng Liu, Herthana Kandasamy, Claire Normand, Meriem Semache, Laurent Sabbagh, Isabella Glenn, John J Irwin, Kaavya Krishna Kumar, Alexandros Makriyannis, Allan I Basbaum, Brian K Shoichet
Large library docking for cannabinoid-1 receptor agonists with reduced side effects. bioRxiv : the preprint server for biology (2024)
Jiankun Lyu, Nicholas J Kapolka, Ryan Gumpper, Assaf Alon, Liang Wang, Manish Kumar Jain, Ximena Barros-Álvarez, Kensuke Sakamoto, Yoojoong Kim, Jeffrey F DiBerto, Kuglae Kim, Isabella S Glenn, Tia A Tummino, Sijie Huang, John J Irwin, Olga O Tarkhanova, Yurii S Moroz, Georgios Skiniotis, Andrew C Kruse, Brian K Shoichet, Bryan L Roth
AlphaFold2 structures guide prospective ligand discovery. Science (New York, N.Y.) 384 (6702) (2024)
Victor Hernandez-Olmos, Jan Heering, Beatrice Marinescu, Tina Weiß, Vladimir V Ivanov, Yurii S Moroz, Sheila Nevermann, Marius Mathes, Johanna H M Ehrler, Mohamad Wessam Alnouri, Markus Wolf, Alicia S Haydo, Tessa Schmachtel, Andrea Zaliani, Georg Höfner, Astrid Kaiser, Manfred Schubert-Zsilavecz, Annette G Beck-Sickinger, Stefan Offermanns, Philipp Gribbon, Michael A Rieger, Daniel Merk, Marco Sisignano, Dieter Steinhilber, Ewgenij Proschak
Development of a Potent and Selective G2A (GPR132) Agonist. Journal of medicinal chemistry 67 (13) (2024)
Jiankun Lyu, Nicholas J Kapolka, Ryan Gumpper, Assaf Alon, Liang Wang, Manish Kumar Jain, Ximena Barros-Álvarez, Kensuke Sakamoto, Yoojoong Kim, Jeffrey F DiBerto, Kuglae Kim, Isabella S Glenn, Tia A Tummino, Sijie Huang, John J Irwin, Olga O Tarkhanova, Yurii S Moroz, Georgios Skiniotis, Andrew C Kruse, Brian K Shoichet, Bryan L Roth
AlphaFold2 structures guide prospective ligand discovery. Science (New York, N.Y.) (2024)
Kaylen R Meeks, Juan Ji, Mykola V Protopopov, Olga O Tarkhanova, Yurii S Moroz, John J Tanner
Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. Journal of chemical information and modeling 64 (5) (2024)
Fangyu Liu, Cheng-Guo Wu, Chia-Ling Tu, Isabella S Glenn, Justin G Meyerowitz, Anat Levit Kaplan, Jiankun Lyu, Zhiqiang Cheng, Olga O Tarkhanova, Yurii S Moroz, John J Irwin, Wenhan Chang, Brian K Shoichet, Georgios Skiniotis
Large library docking identifies positive allosteric modulators of the calcium-sensing receptor. Science (New York, N.Y.) 385 (6715) (2024)
Kaylen R Meeks, Juan Ji, Mykola V Protopopov, Olga O Tarkhanova, Yurii S Moroz, John J Tanner
Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. Journal of chemical information and modeling (2024)
Ahmed Fouda, Sarita Negi, Oleg Zaremba, Rita S Gaidar, Yurii S Moroz, Eduard Rusanov, Steven Paraskevas, Jean Tchervenkov
Discovery, Synthesis, and In Vitro Characterization of 2,3 Derivatives of 4,5,6,7-Tetrahydro-Benzothiophene as Potent Modulators of Retinoic Acid Receptor-Related Orphan Receptor γt. Journal of medicinal chemistry (2023)
Stefan Gahbauer, Galen J Correy, Marion Schuller, Matteo P Ferla, Yagmur Umay Doruk, Moira M Rachman, Taiasean Wu, Morgan E Diolati, Siyi Wang, R Jeffrey Neitz, Daren Fearon, Dmytro S Radchenko, Yurii S Moroz, John J Irwin, Adam R Renslo, Jenny C Taylor, Jason E Gestwicki, Frank von Delft, Alan Ashworth, Ivan Ahel, Brian K Shoichet, Brian K Shoichet
Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proceedings of the National Academy of Sciences of the United States of America 120 (2) (2023)
Isha Singh, Fengling Li, Elissa A Fink, Irene Chau, Alice Shi Ming Li, Annía Rodriguez-Hernández, Isabella Glenn, Francisco J Zapatero-Belinchón, M Luis Rodriguez, Kanchan Devkota, Zhijie Deng, Kris White, Xiaobo Wan, Nataliya A Tolmachova, Yurii S Moroz, Husnu Ümit Kaniskan, Melanie Ott, Adolfo García-Sastre, Jian Jin, Danica Galonić Fujimori, John J Irwin, Masoud Vedadi, Brian K Shoichet
Structure-Based Discovery of Inhibitors of the SARS-CoV-2 Nsp14 N7-Methyltransferase. Journal of medicinal chemistry (2023)
Stefan Gahbauer, Galen J Correy, Marion Schuller, Matteo P Ferla, Yagmur Umay Doruk, Moira M Rachman, Taiasean Wu, Morgan E Diolati, Siyi Wang, R Jeffrey Neitz, Daren Fearon, Dmytro S Radchenko, Yurii S Moroz, John J Irwin, Adam R Renslo, Jenny C Taylor, Jason E Gestwicki, Frank von Delft, Alan Ashworth, Ivan Ahel, Brian K Shoichet, Brian K Shoichet
Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proceedings of the National Academy of Sciences of the United States of America 120 (2) (2023)
Anastasiia Gryniukova, Florian Kaiser, Iryna Myziuk, Diana Alieksieieva, Christoph Leberecht, Peter P Heym, Olga O Tarkhanova, Yurii S Moroz, Petro Borysko, V Joachim Haupt
AI-Powered Virtual Screening of Large Compound Libraries Leads to the Discovery of Novel Inhibitors of Sirtuin-1. Journal of medicinal chemistry (2023)
Ahmed Fouda, Sarita Negi, Oleg Zaremba, Rita S Gaidar, Yurii S Moroz, Eduard Rusanov, Steven Paraskevas, Jean Tchervenkov
Discovery, Synthesis, and In Vitro Characterization of 2,3 Derivatives of 4,5,6,7-Tetrahydro-Benzothiophene as Potent Modulators of Retinoic Acid Receptor-Related Orphan Receptor γt. Journal of medicinal chemistry (2023)
Stefan Gahbauer, Galen J Correy, Marion Schuller, Matteo P Ferla, Yagmur Umay Doruk, Moira M Rachman, Taiasean Wu, Morgan E Diolati, Siyi Wang, R Jeffrey Neitz, Daren Fearon, Dmytro S Radchenko, Yurii S Moroz, John J Irwin, Adam R Renslo, Jenny C Taylor, Jason E Gestwicki, Frank von Delft, Alan Ashworth, Ivan Ahel, Brian K Shoichet, Brian K Shoichet
Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proceedings of the National Academy of Sciences of the United States of America 120 (2) (2023)
Stefan Gahbauer, Galen J Correy, Marion Schuller, Matteo P Ferla, Yagmur Umay Doruk, Moira M Rachman, Taiasean Wu, Morgan E Diolati, Siyi Wang, R Jeffrey Neitz, Daren Fearon, Dmytro S Radchenko, Yurii S Moroz, John J Irwin, Adam R Renslo, Jenny C Taylor, Jason E Gestwicki, Frank von Delft, Alan Ashworth, Ivan Ahel, Brian K Shoichet, Brian K Shoichet
Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proceedings of the National Academy of Sciences of the United States of America 120 (2) (2023)
Stefan Gahbauer, Galen J Correy, Marion Schuller, Matteo P Ferla, Yagmur Umay Doruk, Moira M Rachman, Taiasean Wu, Morgan E Diolati, Siyi Wang, R Jeffrey Neitz, Daren Fearon, Dmytro S Radchenko, Yurii S Moroz, John J Irwin, Adam R Renslo, Jenny C Taylor, Jason E Gestwicki, Frank von Delft, Alan Ashworth, Ivan Ahel, Brian K Shoichet, Brian K Shoichet
Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proceedings of the National Academy of Sciences of the United States of America 120 (2) (2023)
Stefan Gahbauer, Galen J Correy, Marion Schuller, Matteo P Ferla, Yagmur Umay Doruk, Moira M Rachman, Taiasean Wu, Morgan E Diolati, Siyi Wang, R Jeffrey Neitz, Daren Fearon, Dmytro S Radchenko, Yurii S Moroz, John J Irwin, Adam R Renslo, Jenny C Taylor, Jason E Gestwicki, Frank von Delft, Alan Ashworth, Ivan Ahel, Brian K Shoichet, Brian K Shoichet
Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proceedings of the National Academy of Sciences of the United States of America 120 (2) (2023)
Ahmed Fouda, Sarita Negi, Oleg Zaremba, Rita S Gaidar, Yurii S Moroz, Eduard Rusanov, Steven Paraskevas, Jean Tchervenkov
Discovery, Synthesis, and In Vitro Characterization of 2,3 Derivatives of 4,5,6,7-Tetrahydro-Benzothiophene as Potent Modulators of Retinoic Acid Receptor-Related Orphan Receptor γt. Journal of medicinal chemistry (2023)
Stefan Gahbauer, Galen J Correy, Marion Schuller, Matteo P Ferla, Yagmur Umay Doruk, Moira M Rachman, Taiasean Wu, Morgan E Diolati, Siyi Wang, R Jeffrey Neitz, Daren Fearon, Dmytro S Radchenko, Yurii S Moroz, John J Irwin, Adam R Renslo, Jenny C Taylor, Jason E Gestwicki, Frank von Delft, Alan Ashworth, Ivan Ahel, Brian K Shoichet, Brian K Shoichet
Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proceedings of the National Academy of Sciences of the United States of America 120 (2) (2023)
Stefan Gahbauer, Galen J Correy, Marion Schuller, Matteo P Ferla, Yagmur Umay Doruk, Moira M Rachman, Taiasean Wu, Morgan E Diolati, Siyi Wang, R Jeffrey Neitz, Daren Fearon, Dmytro S Radchenko, Yurii S Moroz, John J Irwin, Adam R Renslo, Jenny C Taylor, Jason E Gestwicki, Frank von Delft, Alan Ashworth, Ivan Ahel, Brian K Shoichet, Brian K Shoichet
Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proceedings of the National Academy of Sciences of the United States of America 120 (2) (2023)
Ying Chen, Gregory B Craven, Roarke A Kamber, Adolfo Cuesta, Serhii Zhersh, Yurii S Moroz, Michael C Bassik, Jack Taunton
Direct mapping of ligandable tyrosines and lysines in cells with chiral sulfonyl fluoride probes. Nature chemistry (2023)
Ahmed Fouda, Sarita Negi, Oleg Zaremba, Rita S Gaidar, Yurii S Moroz, Eduard Rusanov, Steven Paraskevas, Jean Tchervenkov
Discovery, Synthesis, and In Vitro Characterization of 2,3 Derivatives of 4,5,6,7-Tetrahydro-Benzothiophene as Potent Modulators of Retinoic Acid Receptor-Related Orphan Receptor γt. Journal of medicinal chemistry (2023)
Stefan Gahbauer, Chelsea DeLeon, João M Braz, Veronica Craik, Hye Jin Kang, Xiaobo Wan, Xi-Ping Huang, Christian B Billesbølle, Yong-Feng Liu, Tao Che, Ishan Deshpande, Madison Jewell, Elissa A Fink, Ivan S Kondratov, Yurii S Moroz, John J Irwin, Allan I Basbaum, Bryan L Roth, Brian K Shoichet
Docking for EP4R antagonists active against inflammatory pain. Nature communications 14 (1) (2023)
Elissa A Fink, Jun Xu, Harald Hübner, Joao M Braz, Philipp Seemann, Charlotte Avet, Veronica Craik, Dorothée Weikert, Maximilian F Schmidt, Chase M Webb, Nataliya A Tolmachova, Yurii S Moroz, Xi Ping Huang, Chakrapani Kalyanaraman, Stefan Gahbauer, Geng Chen, Zheng Liu, Matthew P Jacobson, John J Irwin, Michel Bouvier, Yang Du, Brian K Shoichet, Allan I Basbaum, Peter Gmeiner
Structure-based discovery of nonopioid analgesics acting through the α 2A -adrenergic receptor. Science (New York, N.Y.) 377 (6614) (2022)
Ivan S Kondratov, Yurii S Moroz, Christoph Gorgulla, Oleksandr O Grygorenko, Igor V Komarov, Gerhard Wagner, Andrey A Tolmachev
Challenges for chemistry in Ukraine after the war: Ukrainian science requires rebuilding and support. Proceedings of the National Academy of Sciences of the United States of America 119 (50) (2022)
Dzvenymyra Yarish, Sofiya Garkot, Oleksandr O Grygorenko, Dmytro S Radchenko, Yurii S Moroz, Oleksandr Gurbych
Advancing molecular graphs with descriptors for the prediction of chemical reaction yields. Journal of computational chemistry 44 (2) (2022)
Stefan Gahbauer, Galen J Correy, Marion Schuller, Matteo P Ferla, Yagmur Umay Doruk, Moira M Rachman, Taiasean Wu, Morgan E Diolati, Siyi Wang, R Jeffrey Neitz, Daren Fearon, Dmytro S Radchenko, Yurii S Moroz, John J Irwin, Adam R Renslo, Jenny C Taylor, Jason E Gestwicki, Frank von Delft, Alan Ashworth, Ivan Ahel, Brian K Shoichet, Brian K Shoichet
Structure-based inhibitor optimization for the Nsp3 Macrodomain of SARS-CoV-2. bioRxiv : the preprint server for biology (2022)
Arman A Sadybekov, Anastasiia V Sadybekov, Yong-Feng Liu, Christos Iliopoulos-Tsoutsouvas, Xi-Ping Huang, Julie E Pickett, Blake Houser, Nilkanth Patel, Ngan K Tran, Fei Tong, Nikolai Zvonok, Manish Kumar Jain, Olena Savych, Dmytro S Radchenko, Spyros P Nikas, Nicos A Petasis, Yurii S Moroz, Bryan L Roth, Alexandros Makriyannis, Vsevolod Katritch
Synthon-based ligand discovery in virtual libraries of over 11 billion compounds. Nature 601 (7893) (2021)
Dmytro S Radchenko, Vasyl S Naumchyk, Igor Dziuba, Andrii A Kyrylchuk, Kateryna E Gubina, Yurii S Moroz, Oleksandr O Grygorenko
One-pot parallel synthesis of 1,3,5-trisubstituted 1,2,4-triazoles. Molecular diversity (2021)
Assaf Alon, Jiankun Lyu, Joao M Braz, Tia A Tummino, Veronica Craik, Matthew J O'Meara, Chase M Webb, Dmytro S Radchenko, Yurii S Moroz, Xi-Ping Huang, Yong-Feng Liu, Bryan L Roth, John J Irwin, Allan I Basbaum, Brian K Shoichet, Andrew C Kruse
Structures of the σ2 receptor enable docking for bioactive ligand discovery. Nature (2021)
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