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Analytical Chemistry

Working Paper

Quaternary Structure of the Tryptophan Synthase α-Subunit Homolog BX1 from Zea mays

Andrew Norris, Florian Busch, Michael Schupfner, Reinhard Sterner, Vicki Wysocki

Version 1 posted 24 September 2019

377

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Physical Chemistry

Working Paper

Enhancing Paraoxon Binding to Organophosphorus Hydrolase Active Site

Léa El Khoury, David Mobley, Dongmei Ye, Susan Rempe

Version 1 posted 15 February 2021

246

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Biological and Medicinal Chemistry

Working Paper

Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist using Molecular Dynamics Simulations, Binding Free Energy Calculations and Mutagenesis

Panagiotis Lagarias, Kerry Barkan, Eva Tzortzini, Eleni Vrontaki, Margarita Stampelou, Graham Ladds, Antonios Kolocouris

Version 1 posted 05 August 2019

588

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Biological and Medicinal Chemistry

Working Paper

Structural Characterization of Agonist Binding to A3 Adenosine Receptor through Biomolecular Simulations and Mutagenesis Experiments

Dimitrios Stamatis, Panagiotis Lagarias, Kerry Barkan, Eleni Vrontaki, Graham Ladds, Antonios Kolocouris

Version 1 posted 22 July 2019

654

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Biological and Medicinal Chemistry

Working Paper

Structure-Guided Product Determination of Bacterial Type II Diterpene Synthases

Emma Stowell, Michelle Ehrenberger, Ya-Lin Lin, Chin-Yuan Chang, Jeffrey Rudolf

Version 2 posted 28 June 2022

429

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Theoretical and Computational Chemistry

Working Paper

Exploring the effects of mutagenesis on FusionRed using excited state QM/MM dynamics and classical force field simulations

Ashlyn Murphy, Mark Hix, Alice Walker

Version 1 posted 30 December 2022

548

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Biological and Medicinal Chemistry

Working Paper

Novel Pyrazolo[3,4-c]pyridine Antagonists with Nanomolar affinity for A1 / A3 Adenosine Receptors: Binding Kinetics and Exploration of their Binding Profile Using Mutagenesis Experiments, MD simulations and TI/MD calculations

Margarita Stampelou, Anna Suchankova, Efpraxia Tzortzini, Lakshiv Dhingra, Kerry Barkan, Nikolaos Lougiakis, Panagiotis Marakos, Nikole Pouli, Graham Ladds, Antonios Kolocouris

Version 4 posted 24 November 2021

478

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Biological and Medicinal Chemistry

Working Paper

Discovery of red-shifting mutations in firefly luciferase using high-throughput biochemistry

Clair M. Colee, Nicole M. Oberlag, Marcell Simon, Owen S. Chapman, Lyndsey C. Flanagan, Edison S. Reid-McLaughlin, Jordan A. Gewing-Mullins, Synaida Maiche, Devi F. Patel, Andre R.O. Cavalcanti, Aaron M. Leconte

Version 2 posted 11 December 2023

193

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Catalysis

Working Paper

Unveiling the molecular basis of selective fluorination: computation-guided identification, characterization, and engineering of SAM-dependent fluorinases

Ravi Kumar Verma, Wan Lin Yeo, Elaine Tiong, Ee Lui Ang, Yee Hwee Lim, Fong Tian Wong, Hao Fan

Version 1 posted 28 August 2024

161

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Refine Search

9 results in Mutagenesis in Keywords: Mutagenesis

Quaternary Structure of the Tryptophan Synthase α-Subunit Homolog BX1 from Zea mays

Enhancing Paraoxon Binding to Organophosphorus Hydrolase Active Site

Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist using Molecular Dynamics Simulations, Binding Free Energy Calculations and Mutagenesis

Structural Characterization of Agonist Binding to A3 Adenosine Receptor through Biomolecular Simulations and Mutagenesis Experiments

Structure-Guided Product Determination of Bacterial Type II Diterpene Synthases

Exploring the effects of mutagenesis on FusionRed using excited state QM/MM dynamics and classical force field simulations

Novel Pyrazolo[3,4-c]pyridine Antagonists with Nanomolar affinity for A1 / A3 Adenosine Receptors: Binding Kinetics and Exploration of their Binding Profile Using Mutagenesis Experiments, MD simulations and TI/MD calculations

Discovery of red-shifting mutations in firefly luciferase using high-throughput biochemistry

Unveiling the molecular basis of selective fluorination: computation-guided identification, characterization, and engineering of SAM-dependent fluorinases

9 results in Keywords: Mutagenesis