Author

Y. Moroz

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biophysics· 2 Pharmacology & Toxicology· 1

Signature Assays, Organisms & Methods

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Approach:deep learning· 3 Research Focus:drug response / drug discovery· 3 Assay:protein structure· 2 Organism:virus· 2 Approach:benchmark study· 1 Approach:statistical model· 1 Assay:structural biology· 1

Frequent Co-Authors

A. R. Renslo· 2 shared B. K. Shoichet· 2 shared J. J. Irwin· 2 shared J. Lyu· 2 shared S. Gahbauer· 2 shared A. Alon· 1 shared A. Ashworth· 1 shared A. Garcia-Sastre· 1 shared

Activity by Year

2022-2023 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 28 mutual co-author links

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2 shared papersBiophysics

A. R. Renslo

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Author profile →

3 papers

Recent·Most cited

AlphaFold2 structures template ligand discovery

J. Lyu, N. Kapolka, R. Gumpper, A. Alon, L. Wang, M. Jain, X. Alvarez, K. Sakamoto, Y. Kim, J. DiBerto, K. Kim, T. Tummino, S. Huang, J. Irwin, O. Tarkhanova, , B. Roth

This study evaluates AlphaFold2 models for ligand discovery, finding they perform similarly to experimental structures despite conformational differences, and identify potent agonists for the 5-HT2A receptor.

bioRxiv · Dec 20, 2023 · PreprintPharmacology & Toxicology

Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors

E. A. Fink, C. Bardine, S. Gahbauer, I. Singh, K. White, S. Gu, X. Wan, B. Ary, I. Glenn, J. O'Connell, H. O'Donnell, P. Fajtova, J. Lyu, S. Vigneron, N. J. Young, , C. S. Craik

The paper identifies novel non-covalent and covalent inhibitors of SARS-CoV-2 main protease through virtual docking and experimental validation.

bioRxiv · Jul 5, 2022Biophysics

Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 Macrodomain of SARS-CoV-2

S. Gahbauer, G. J. Correy, M. Schuller, M. P. Ferla, Y. U. Doruk, M. Rachman, T. Wu, M. Diolaiti, S. Wang, J. Neitz, D. Fearon, D. S. Radchenko, Y. Moroz, J. J. Irwin, A. R. Renslo, , J. S. Fraser

The paper computationally designs and experimentally validates potent inhibitors of the SARS-CoV-2 Nsp3 Macrodomain, identifying 160 ligands and 152 crystal structures with submicromolar affinity.

bioRxiv · Jun 27, 2022Biophysics