Publications by authors named "Alexander Wade"

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Ensemble-Based Approaches Ensure Reliability and Reproducibility.
Shunzhou Wan, Agastya P Bhati, Alexander D Wade, Peter V Coveney

J Chem Inf Model· November 2023

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TIES 2.0: A Dual-Topology Open Source Relative Binding Free Energy Builder with Web Portal.
Mateusz K Bieniek, Alexander D Wade, Agastya P Bhati, Shunzhou Wan, Peter V Coveney

J Chem Inf Model· February 2023

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Alchemical Free Energy Estimators and Molecular Dynamics Engines: Accuracy, Precision, and Reproducibility.
Alexander D Wade, Agastya P Bhati, Shunzhou Wan, Peter V Coveney

J Chem Theory Comput· June 2022

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The performance of ensemble-based free energy protocols in computing binding affinities to ROS1 kinase.
Shunzhou Wan, Agastya P Bhati, David W Wright, Alexander D Wade, Gary Tresadern

Sci Rep· June 2022

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Thermodynamic and structural insights into the repurposing of drugs that bind to SARS-CoV-2 main protease.
Shunzhou Wan, Agastya P Bhati, Alexander D Wade, Dario Alfè, Peter V Coveney

Mol Syst Des Eng· February 2022

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An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials.
Edwin G Tse, Laksh Aithani, Mark Anderson, Jonathan Cardoso-Silva, Giovanni Cincilla, Alexander D Wade

J Med Chem· November 2021

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The synthesis of the very long chain polyunsaturated fatty acid (VLC-PUFA) 32:6 n-3.
Alexander Wade, Rameshu Rallabandi, Steven Lucas, Catrina Oberg, Aruna Gorusupudi

Org Biomol Chem· June 2021

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Retinal bioavailability and functional effects of a synthetic very-long-chain polyunsaturated fatty acid in mice.
Aruna Gorusupudi, Rameshu Rallabandi, Binxing Li, Ranganathan Arunkumar, J David Blount, Alexander Wade

Proc Natl Acad Sci U S A· February 2021

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Totally extraperitoneal approach for open complex abdominal wall reconstruction.
Shyanie Kumar, R Wesley Edmunds, Michael J Nisiewicz, Zachary D Warriner, Yu-Wei Wayne Chang, Alexander Wade

Surg Endosc· January 2021

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Identification of Optimal Ligand Growth Vectors Using an Alchemical Free-Energy Method.
Alexander D Wade, David J Huggins

J Chem Inf Model· November 2020

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Optimization of Protein-Ligand Electrostatic Interactions Using an Alchemical Free-Energy Method.
Alexander D Wade, David J Huggins

J Chem Theory Comput· November 2019

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Computational Fluorine Scanning Using Free-Energy Perturbation.
Alexander D Wade, Andrea Rizzi, Yuanqing Wang, David J Huggins

J Chem Inf Model· June 2019

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Assimilating Radial Distribution Functions To Build Water Models with Improved Structural Properties.
Alexander D Wade, Lee-Ping Wang, David J Huggins

J Chem Inf Model· September 2018

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Evaluation and treatment of critical asthma syndrome in children.
Alexander Wade, Christopher Chang

Clin Rev Allergy Immunol· February 2015

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The potential for archiving and reconstituting valuable strains of turkey (Meleagris gallopavo) using primordial germ cells.
Alexander J Wade, Nick A French, Grenham W Ireland

Poult Sci· April 2014

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A new method for producing transgenic birds via direct in vivo transfection of primordial germ cells.
Scott G Tyack, Kristie A Jenkins, Terri E O'Neil, Terry G Wise, Kirsten R Morris, Alexander J Wade

Transgenic Res· December 2013

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Quality of life after ileoanal pouch: a comparison of J and W pouches.
Alexander D Wade, Michelle A Mathiason, Eric F Brekke, Shanu N Kothari

J Gastrointest Surg· July 2009

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Dieulafoy lesion after Roux-en-Y gastric bypass.
Alexander D Wade, Shanu N Kothari

Surg Obes Relat Dis· April 2009

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Model-based simulation to explore the cost-effectiveness of following practice guidelines for triglyceride and low-density lipoprotein cholesterol control among patients with diabetes mellitus and mixed dyslipidemia.
Sonja V Sorensen, Kevin D Frick, Alexander Wade, Robert Simko, Russel Burge

Clin Ther· April 2009

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