Publications by authors named "David Huggins"

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Relative BAT: An Automated Tool for Relative Binding Free Energy Calculations by the Separated Topologies Approach.
Germano Heinzelmann, David J Huggins, Michael K Gilson

J Chem Inf Model· December 2025

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Selecting performance indicators for farms and ranches engaged in collaborative agroecosystem research.
Megan Donovan, Sheri Spiegal, Nicole Kaplan, David Archer, Alycia Bean, David Huggins

J Environ Qual· November 2025

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Utility of near-surface phenology in estimating productivity and evapotranspiration across diverse ecosystems.
Sander O Denham, Dawn M Browning, Adam P Schreiner-McGraw, Russell L Scott, Brent Dalzell, David Huggins

J Environ Qual· September 2025

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Variation in patterns of production and water-use efficiency among agroecosystems.
Olivia L Hajek, Nicole E Kaplan, Shefali Azad, Philip A Fay, Makki Khorchani, David Huggins

Sci Total Environ· September 2025

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Discovery, Optimization, and Evaluation of Non-Nucleoside SARS-CoV-2 NSP14 Inhibitors.
Michael W Miller, Cindy Meyer, Aitor Garzia, Hans-Heinrich Hoffmann, Tanweer A Khan, David J Huggins

J Med Chem· September 2025

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Discovery of Novel Isofunctional SARS-CoV‑2 NSP14 RNA Cap Methyltransferase Inhibitors by Structure-Based Virtual Screening.
Cindy Meyer, Mayako Michino, David J Huggins, Aitor Garzia, Jada A Davis

ACS Med Chem Lett· September 2025

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Functional regimes define soil microbiome response to environmental change.
Kiseok Keith Lee, Siqi Liu, Kyle Crocker, Jocelyn Wang, David R Huggins

Nature· August 2025

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Editor's Note: Small-Molecule Inhibition of the Acyl-Lysine Reader ENL as a Strategy against Acute Myeloid Leukemia.
Yiman Liu, Qinglan Li, Fatemeh Alikarami, Declan R Barrett, Leila Mahdavi, David J Huggins

Cancer Discov· June 2025

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A classification system for describing N-fertilizer performance in dryland wheat crops of the inland Pacific Northwest.
Joaquin J Casanova, David R Huggins, Claire L Phillips

J Environ Qual· May 2025

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Comparing Molecules Generated by MMPDB and REINVENT4 with Ideas from Drug Discovery Design Teams.
Shan Sun, David J Huggins

J Chem Inf Model· April 2025

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A potent and selective TNKS2 inhibitor for tumor-selective WNT suppression.
Jill Zimmerman, Brandon F Malone, Efrat Finkin-Groner, Shan Sun, Rui Liang, David J Huggins

bioRxiv· March 2025

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Small-molecule inhibition of SARS-CoV-2 NSP14 RNA cap methyltransferase.
Cindy Meyer, Aitor Garzia, Michael W Miller, David J Huggins, Robert W Myers

Nature· January 2025

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The LTAR Common Experiment: Facilitating improved agricultural sustainability through coordinated cross-site research.
Mark A Liebig, Lori J Abendroth, G Philip Robertson, David Augustine, Elizabeth H Boughton, David R Huggins

J Environ Qual· November 2024

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The LTAR Cropland Common Experiment at R. J. Cook Agronomy Farm.
David R Huggins, Claire L Phillips, Bryan R Carlson, Joaquin J Casanova, Garett C Heineck

J Environ Qual· November 2024

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Indazole to 2-Cyanoindole Scaffold Progression for Mycobacterial Lipoamide Dehydrogenase Inhibitors Achieves Extended Target Residence Time and Improved Antibacterial Activity.
Shan Sun, John Ginn, Tomasz Kochanczyk, Nancy Arango, Xiuju Jiang, David J Huggins

Angew Chem Int Ed Engl· October 2024

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Correction to "BAT2: an Open-Source Tool for Flexible, Automated, and Low Cost Absolute Binding Free Energy Calculations".
Germano Heinzelmann, David J Huggins, Michael K Gilson

J Chem Theory Comput· October 2024

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The benefits of translating biomedical research at drug discovery institutes.
David J Huggins, Jonathan Baell, Paul E Brennan, Alex Burgin, Duncan E Scott

Nat Rev Drug Discov· September 2024

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BAT2: an Open-Source Tool for Flexible, Automated, and Low Cost Absolute Binding Free Energy Calculations.
Germano Heinzelmann, David J Huggins, Michael K Gilson

J Chem Theory Comput· August 2024

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Next-generation neuropeptide Y receptor small-molecule agonists inhibit mosquito-biting behavior.
Emely V Zeledon, Leigh A Baxt, Tanweer A Khan, Mayako Michino, Michael Miller, David J Huggins

Parasit Vectors· June 2024

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Functional regimes define the response of the soil microbiome to environmental change.
Kiseok Keith Lee, Siqi Liu, Kyle Crocker, David R Huggins, Mikhail Tikhonov

bioRxiv· May 2024

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Lead Optimization of Small Molecule ENL YEATS Inhibitors to Enable Studies: Discovery of TDI-11055.
Mayako Michino, Tanweer A Khan, Michael W Miller, Yoshiyuki Fukase, Jeremie Vendome, David J Huggins

ACS Med Chem Lett· April 2024

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Next Generation Neuropeptide Y Receptor Small Molecule Agonists Inhibit Mosquito Biting Behavior.
Emely V Zeledon, Leigh A Baxt, Tanweer A Khan, Mayako Michino, Michael Miller, David J Huggins

bioRxiv· March 2024

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Addition to "Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation".
Shan Sun, Makoto Fushimi, Thomas Rossetti, Navpreet Kaur, Jacob Ferreira, David J Huggins

J Chem Inf Model· February 2024

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Using a Function-First "Scout Fragment"-Based Approach to Develop Allosteric Covalent Inhibitors of Conformationally Dynamic Helicase Mechanoenzymes.
Jared R Ramsey, Patrick M M Shelton, Tyler K Heiss, Paul Dominic B Olinares, Lauren E Vostal, David J Huggins

J Am Chem Soc· January 2024

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Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors.
Mayako Michino, Alexandre Beautrait, Nicholas A Boyles, Aparna Nadupalli, Alexey Dementiev, David J Huggins

ACS Bio Med Chem Au· December 2023

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