| Computation sheds insight into iron porphyrin carbenes’ electronic structure, formation, and N–H insertion reactivity DA Sharon, D Mallick, B Wang, S Shaik Journal of the American Chemical Society 138 (30), 9597-9610, 2016 | 118 | 2016 |
| Selective chlorination of substrates by the halogenase SyrB2 is controlled by the protein according to a combined quantum mechanics/molecular mechanics and molecular dynamics study J Huang, C Li, B Wang, DA Sharon, W Wu, S Shaik ACS Catalysis 6 (4), 2694-2704, 2016 | 67 | 2016 |
| RLY-4008, the First Highly Selective FGFR2 Inhibitor with Activity across FGFR2 Alterations and Resistance Mutations V Subbiah, V Sahai, D Maglic, K Bruderek, BB Touré, S Zhao, R Valverde, ... Cancer discovery 13 (9), 2012-2031, 2023 | 56 | 2023 |
| Computations Reveal a Rich Mechanistic Variation of Demethylation of N-Methylated DNA/RNA Nucleotides by FTO B Wang, Z Cao, DA Sharon, S Shaik ACS Catalysis 5 (12), 7077-7090, 2015 | 55 | 2015 |
| Water orientation and dynamics in the closed and open influenza B virus M2 proton channels MD Gelenter, VS Mandala, MJM Niesen, DA Sharon, AJ Dregni, ... Communications Biology 4 (1), 338, 2021 | 30 | 2021 |
| Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2 H Schönherr, P Ayaz, AM Taylor, JB Casaletto, BB Touré, DT Moustakas, ... Proceedings of the National Academy of Sciences 121 (6), e2317756121, 2024 | 14 | 2024 |
| Microphase Separation Produces Interfacial Environment within Diblock Biomolecular Condensates AP Latham, L Zhu, DA Sharon, S Ye, AP Willard, X Zhang, B Zhang bioRxiv, 2024 | 9 | 2024 |
| Principles and prospects of spin‐states reactivity in chemistry and bioinorganic chemistry D Usharani, B Wang, DA Sharon, S Shaik Spin States in Biochemistry and Inorganic Chemistry: Influence on Structure …, 2015 | 9 | 2015 |
| Structural models of full-length JAK2 kinase P Ayaz, HM Hammarén, J Raivola, D Sharon, SR Hubbard, ... bioRxiv, 727727, 2019 | 7 | 2019 |
| How to Go With the Flow: an Analysis of Flow Matching Molecular Docking Performance With Priors of Varying Information Content DA Sharon, Y Huang, M Oyewole, S Mustafa ICLR 2024 Workshop on Generative and Experimental Perspectives for …, 2024 | 1 | 2024 |
