David J Huggins
Cornell University
H-index: 28
North America-United States
Top articles of David J Huggins
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Lead Optimization of Small Molecule ENL YEATS Inhibitors to Enable In Vivo Studies: Discovery of TDI-11055 | ACS Medicinal Chemistry Letters | Mayako Michino Tanweer A Khan Michael W Miller Yoshiyuki Fukase Jeremie Vendome | 2024/3/12 |
BAT2: An open-source tool for flexible, automated and low cost absolute binding free energy calculations | Germano Heinzelmann David Huggins Michael Gilson | 2024/2/20 | |
Inhibitors of mycobacterium tuberculosis lipoamide dehydrogenase | 2024/4/25 | ||
Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation | Journal of chemical information and modeling | Shan Sun Makoto Fushimi Thomas Rossetti Navpreet Kaur Jacob Ferreira | 2023/4/15 |
On-demand male contraception via acute inhibition of soluble adenylyl cyclase | Nature communications | Melanie Balbach Thomas Rossetti Jacob Ferreira Lubna Ghanem Carla Ritagliati | 2023/2/14 |
Inhibitors of enl/af9 yeats | 2023/1/26 | ||
Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors | ACS Bio & Med Chem Au | Mayako Michino Alexandre Beautrait Nicholas A Boyles Aparna Nadupalli Alexey Dementiev | 2023/9/8 |
Enhancing hit discovery in virtual screening through absolute protein–ligand binding free-energy calculations | Journal of Chemical Information and Modeling | Wei Chen Di Cui Steven V Jerome Mayako Michino Eelke B Lenselink | 2023/5/11 |
PYRROLO [2, 3-b] PYRIDINE-3-CARBOXAMIDE COMPOSITIONS AND METHODS FOR AMELIORATING HEARING LOSS | 2023/5/4 | ||
Assessing the effect of forcefield parameter sets on the accuracy of relative binding free energy calculations | Frontiers in Molecular Biosciences | Shan Sun David J Huggins | 2022/9/12 |
Development of an improved inhibitor of Lats kinases to promote regeneration of mammalian organs | Proceedings of the National Academy of Sciences | Nathaniel R Kastan Sanyukta Oak Rui Liang Leigh Baxt Robert W Myers | 2022/7/8 |
Comparing the performance of different AMBER protein forcefields, partial charge assignments, and water models for absolute binding free energy calculations | Journal of Chemical Theory and Computation | David J Huggins | 2022/3/10 |
A chemical strategy toward novel brain-penetrant EZH2 inhibitors | ACS Medicinal Chemistry Letters | Rui Liang Daisuke Tomita Yusuke Sasaki John Ginn Mayako Michino | 2022/2/10 |
Design, synthesis, and pharmacological evaluation of second-generation soluble adenylyl cyclase (sAC, ADCY10) inhibitors with slow dissociation rates | Chao-Yun Cai | 2021 | |
Small-molecule inhibition of the acyl-lysine reader ENL as a strategy against acute myeloid leukemia | Cancer discovery | Yiman Liu Qinglan Li Fatemeh Alikarami Declan R Barrett Leila Mahdavi | 2022/11/2 |
Small-molecule inhibition of Lats kinases may promote Yap-dependent proliferation in postmitotic mammalian tissues | Nature communications | Nathaniel Kastan Ksenia Gnedeva Theresa Alisch Aleksandra A Petelski David J Huggins | 2021/5/25 |
Whole Cell Active Inhibitors of Mycobacterial Lipoamide Dehydrogenase Afford Selectivity over the Human Enzyme through Tight Binding Interactions | ACS Infectious Diseases | John Ginn Xiuju Jiang Shan Sun Mayako Michino David J Huggins | 2021/2/2 |
Deglycase-activity oriented screening to identify DJ-1 inhibitors | RSC Medicinal Chemistry | Igor Maksimovic Efrat Finkin-Groner Yoshiyuki Fukase Qingfei Zheng Shan Sun | 2021 |
Discovery of TDI-10229: a potent and orally bioavailable inhibitor of soluble adenylyl cyclase (sAC, ADCY10) | ACS Medicinal Chemistry Letters | Makoto Fushimi Hannes Buck Melanie Balbach Anna Gorovyy Jacob Ferreira | 2021/7/14 |
A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death | Cell chemical biology | Duncan E Scott Nicola J Francis-Newton May E Marsh Anthony G Coyne Gerhard Fischer | 2021/6/17 |
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