Publications by authors named "Nathan Abraham"

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A Self-Consistent Approach to Rotamer and Protonation State Assignments (RAPA): Moving Beyond Single Protein Configurations.
Mossa Ghattas, Prerna Gera, Steven Ramsey, Anthony Cruz-Balberdy, Nathan Abraham

J Chem Inf Model· July 2025

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Global Atmospheric Composition Effects from Marine Isoprene Emissions.
Wentai Zhang, James Weber, Alex T Archibald, Nathan Luke Abraham, Dennis Booge

Environ Sci Technol· February 2025

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The seventh blind test of crystal structure prediction: structure generation methods.
Lily M Hunnisett, Jonas Nyman, Nicholas Francia, Nathan S Abraham, Claire S Adjiman

Acta Crystallogr B Struct Sci Cryst Eng Mater· December 2024

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The seventh blind test of crystal structure prediction: structure ranking methods.
Lily M Hunnisett, Nicholas Francia, Jonas Nyman, Nathan S Abraham, Srinivasulu Aitipamula

Acta Crystallogr B Struct Sci Cryst Eng Mater· December 2024

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Discovery of Potent and Orally Bioavailable Pyrimidine Amide cGAS Inhibitors via Structure-Guided Hybridization.
Patrick Cyr, Lee D Fader, Jason D Burch, Kelly A Pike, Daniel V Sietsema, Nathan S Abraham

ACS Med Chem Lett· December 2024

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PVRIG is Expressed on Stem-Like T Cells in Dendritic Cell-Rich Niches in Tumors and Its Blockade May Induce Immune Infiltration in Non-Inflamed Tumors.
Zoya Alteber, Gady Cojocaru, Roy Z Granit, Inbal Barbiro, Assaf Wool, Abraham Avi Nathan

Cancer Immunol Res· July 2024

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Chemistry-albedo feedbacks offset up to a third of forestation's CO removal benefits.
James Weber, James A King, Nathan Luke Abraham, Daniel P Grosvenor, Christopher J Smith

Science· February 2024

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Free Energy Perturbation Approach for Accurate Crystalline Aqueous Solubility Predictions.
Richard S Hong, Ana V Rojas, Rajni Miglani Bhardwaj, Lingle Wang, Alessandra Mattei, Nathan S Abraham

J Med Chem· December 2023

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Stratospheric water vapor affecting atmospheric circulation.
Edward Charlesworth, Felix Plöger, Thomas Birner, Rasul Baikhadzhaev, Marta Abalos, Nathan Luke Abraham

Nat Commun· July 2023

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Chemistry-driven changes strongly influence climate forcing from vegetation emissions.
James Weber, Scott Archer-Nicholls, Nathan Luke Abraham, Youngsub Matthew Shin, Paul Griffiths

Nat Commun· November 2022

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Efficient Crystal Structure Prediction for Structurally Related Molecules with Accurate and Transferable Tailor-Made Force Fields.
Alessandra Mattei, Richard S Hong, Hanno Dietrich, Dzmitry Firaha, Julian Helfferich, Nathan S Abraham

J Chem Theory Comput· September 2022

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Integrated ozone depletion as a metric for ozone recovery.
John A Pyle, James Keeble, Nathan Luke Abraham, Martyn P Chipperfield, Paul T Griffiths

Nature· August 2022

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Responses of Arctic sea ice to stratospheric ozone depletion.
Jiankai Zhang, Wenshou Tian, John A Pyle, James Keeble, Nathan Luke Abraham

Sci Bull (Beijing)· June 2022

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Implications of the Conformationally Flexible, Macrocyclic Structure of the First-Generation, Direct-Acting Anti-Viral Paritaprevir on Its Solid Form Complexity and Chameleonic Behavior.
Ahmad Y Sheikh, Alessandra Mattei, Rajni Miglani Bhardwaj, Richard S Hong, Nathan S Abraham

J Am Chem Soc· October 2021

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Climate change modulates the stratospheric volcanic sulfate aerosol lifecycle and radiative forcing from tropical eruptions.
Thomas J Aubry, John Staunton-Sykes, Lauren R Marshall, Jim Haywood, Nathan Luke Abraham

Nat Commun· August 2021

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Statistical Mechanical Approximations to More Efficiently Determine Polymorph Free Energy Differences for Small Organic Molecules.
Nathan S Abraham, Michael R Shirts

J Chem Theory Comput· October 2020

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Thermal Gradient Approach for the Quasi-harmonic Approximation and Its Application to Improved Treatment of Anisotropic Expansion.
Nathan S Abraham, Michael R Shirts

J Chem Theory Comput· November 2018

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Protective Polymer Coatings for High-Throughput, High-Purity Cellular Isolation.
Gabriela Romero, Jacob J Lilly, Nathan S Abraham, Hainsworth Y Shin, Vivek Balasubramaniam

ACS Appl Mater Interfaces· August 2015

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A potential function approach to surface coverage for a surgical robot.
Nathan Abraham, Alon Wolf, Howie Choset

Comput Aided Surg· January 2006

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