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Biological and Medicinal Chemistry

Working Paper

Detection of Putative Ligand Dissociation Pathways in Proteins using Site-Identification by Ligand Competitive Saturation

Wenbo Yu, David Weber, Alex MacKerell

Version 1 posted 07 October 2024

133

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Biological and Medicinal Chemistry

Working Paper

(2-Hydroxy-4-methoxy)benzyl Aminoadamantane Conjugates as Probes to Investigate Specificity Determinants in Blocking Influenza M2 S31N and M2 WT Channels with Binding Kinetics and Simulations

Christina Tzitzoglaki, Kelly McGuire, Athina Konstantinidi, Panagiotis Lagarias, Anja Hoffmann, Jun Wang, Ioannis Papanastasiou, Nataliya A. Fokina, Peter R. Schreiner, Santiago Vázquez, Michaela Schmidtke, David Busath, Antonios Kolocouris

Version 1 posted 02 January 2020

552

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Polymer Science

Working Paper

Simultaneous Evaluation of Multiple Microarray Surface Chemistries Through Real-Time Interferometric Imaging

Elisa Chiodi, Laura Sola, Dario Brambilla, Marina Cretich, Allison Marn, M. Selim Ünlü, Marcella Chiari

Version 1 posted 23 July 2019

704

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Physical Chemistry

Working Paper

Thermodynamics and Kinetics in Antibody Resistance of the 501Y.V2 SARS-CoV-2 Variant

Son Tung Ngo, Trung Hai Nguyen, Duc-Hung Pham, Nguyen Thanh Tung, Pham Cam Nam

Version 4 posted 18 May 2021

828

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1

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Theoretical and Computational Chemistry

Working Paper

Correction Terms for Calculating Binding Free Energy Using Rates from Nonequilibrium Simulations

Robert Hall, Tom Dixon, Alex Dickson

Version 1 posted 27 February 2020

517

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Biological and Medicinal Chemistry

Working Paper

Instrument-Free Protein Microarray Fabrication for Accurate Affinity Measurements

Iris Celebi, Matthew T. Geib, Elisa Chiodi, Nese Lortlar Ünlü, Fulya Ekiz Kanik, M. Selim Ünlü

Version 1 posted 15 October 2020

258

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Theoretical and Computational Chemistry

Working Paper

How robust is the ligand binding transition state?

Samik Bose, Samuel Lotz, Indrajit Deb, Megan Shuck, Kin Sing Stephen Lee, Alex Dickson

Version 1 posted 14 August 2023

335

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7 results in binding kinetics in Keywords: binding kinetics

Detection of Putative Ligand Dissociation Pathways in Proteins using Site-Identification by Ligand Competitive Saturation

(2-Hydroxy-4-methoxy)benzyl Aminoadamantane Conjugates as Probes to Investigate Specificity Determinants in Blocking Influenza M2 S31N and M2 WT Channels with Binding Kinetics and Simulations

Simultaneous Evaluation of Multiple Microarray Surface Chemistries Through Real-Time Interferometric Imaging

Thermodynamics and Kinetics in Antibody Resistance of the 501Y.V2 SARS-CoV-2 Variant

Correction Terms for Calculating Binding Free Energy Using Rates from Nonequilibrium Simulations

Instrument-Free Protein Microarray Fabrication for Accurate Affinity Measurements

How robust is the ligand binding transition state?

7 results in Keywords: binding kinetics