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Biological and Medicinal Chemistry

Working Paper

How ATP-Competitive Inhibitors Allosterically Modulate Tyrosine Kinases That Contain a Src-like Regulatory Architecture

Linglan Fang, Jessica Vilas-Boas, sujata chakraborty, zachary potter, Ames Register, Markus Seeliger, Dustin J. Maly

Version 2 posted 23 April 2020

723

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Biological and Medicinal Chemistry

Working Paper

Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases

Michael K. Hjortness, Laura Riccardi, Akarawin Hongdusit, Peter H. Zwart, Banumathi Sankaran, Marco De Vivo, Jerome Fox

Version 1 posted 03 October 2018

433

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Biological and Medicinal Chemistry

Working Paper

Unraveling the Allosteric Cross-Talk Between Coactivator Peptide and Ligand Binding Site in Glucocorticoid Receptor

Giuseppina La Sala, Anders Gunnarsson, karl edman, Christian Tyrchan, anders hogner, Andrey Frolov

Version 1 posted 05 March 2021

372

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Biological and Medicinal Chemistry

Working Paper

Protein Footprinting, Conformational Dynamics and Interface-Adjacent Neutralization ‘Hotspots’ in the SARS-CoV-2 Spike Protein Receptor Binding Domain / Human ACE2 Interaction

Dominic Narang, Matthew Balmer, D. Andrew James, Derek Wilson

Version 1 posted 18 December 2020

507

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Theoretical and Computational Chemistry

Working Paper

Targeting Allosteric Pockets of SARS-CoV-2 Main Protease Mpro

Zahoor Ahmad Bhat, Dheeraj Chitara, Jawed Iqbal1, Sanjeev. B.S., Arumugam Madhumalar

Version 2 posted 26 August 2020

1,108

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1

Citations

Physical Chemistry

Working Paper

Persistent Protein Motions in a Rugged Energy Landscape Revealed by Normal Mode Ensemble Analysis

Tod D. Romo, Alan Grossfield, Andrea Markelz

Version 1 posted 28 August 2020

399

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Biological and Medicinal Chemistry

Working Paper

Calculating Transfer Entropy from Variance-Covariance Matrices Provides Insight into Allosteric Communication in ERK2

Luisa Garcia Michel, Clara Keirns, Benjamin Ahlbrecht, Daniel Barr

Version 1 posted 16 October 2020

578

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Biological and Medicinal Chemistry

Working Paper

Long timescale ensemble methods in molecular dynamics: Ligand-protein interactions and allostery in SARS-CoV-2 targets

Agastya P. Bhati, Art Hoti, Andrew Potterton, Mateusz K. Bieniek, Peter V. Coveney

Version 3 posted 10 May 2023

863

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Analytical Chemistry

Working Paper

Native Mass Spectrometry Dissects the Structural Dynamics of an Allosteric Heterodimer of SARS-CoV-2 Nonstructural Proteins

Stephanie Thibert, Deseree Reid, Jesse Wilson, Rohith Varikoti, Natalia Maltseva, Katherine Schultz, Agustin Kruel, Gyorgy Babnigg, Andrzej Joachimiak, Neeraj Kumar, Mowei Zhou

Version 1 posted 04 September 2023

339

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Biological and Medicinal Chemistry

Review

Running and analyzing massively parallel molecular simulations

Sukrit Singh, Sonya Hanson

Version 1 posted 15 October 2024

459

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Refine Search

19 results in allostery in Keywords: allostery

How ATP-Competitive Inhibitors Allosterically Modulate Tyrosine Kinases That Contain a Src-like Regulatory Architecture

Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases

Unraveling the Allosteric Cross-Talk Between Coactivator Peptide and Ligand Binding Site in Glucocorticoid Receptor

Protein Footprinting, Conformational Dynamics and Interface-Adjacent Neutralization ‘Hotspots’ in the SARS-CoV-2 Spike Protein Receptor Binding Domain / Human ACE2 Interaction

Targeting Allosteric Pockets of SARS-CoV-2 Main Protease Mpro

Persistent Protein Motions in a Rugged Energy Landscape Revealed by Normal Mode Ensemble Analysis

Calculating Transfer Entropy from Variance-Covariance Matrices Provides Insight into Allosteric Communication in ERK2

Long timescale ensemble methods in molecular dynamics: Ligand-protein interactions and allostery in SARS-CoV-2 targets

Native Mass Spectrometry Dissects the Structural Dynamics of an Allosteric Heterodimer of SARS-CoV-2 Nonstructural Proteins

Running and analyzing massively parallel molecular simulations

19 results in Keywords: allostery