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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

352

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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

422

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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

463

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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

362

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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

1,037

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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

529

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Theoretical and Computational Chemistry

Working Paper

Omicron P132H of SARS-CoV-2 Mpro is an allosteric mutant involved in modulating the dynamics of catalytic site entry loop

Zahoor Ahmad Bhat, Mohd Muzammil Khan, Jawed Iqbal, Ayyub Rehman, Arumugam Madhumalar

Version 2 posted 18 May 2023

199

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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

695

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Biological and Medicinal Chemistry

Working Paper

Allosteric Modulation of PCSK9-LDLR Interaction: Can Structureless Loops be Drug Targets?

Ipsita Basu, Krishnendu Sinha, Zacharia Shah, Salim Shah, Suman Chakrabarty

Version 1 posted 31 October 2022

416

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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

451

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Refine Search

18 results in Allostery in Keywords: Allostery

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

Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases

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

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

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

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

Omicron P132H of SARS-CoV-2 Mpro is an allosteric mutant involved in modulating the dynamics of catalytic site entry loop

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

Allosteric Modulation of PCSK9-LDLR Interaction: Can Structureless Loops be Drug Targets?

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

18 results in Keywords: Allostery