Conformational Heterogeneity | List of Frontiers open access articles

Original Research

Published on 12 Aug 2021

An Integrative Approach to Determine 3D Protein Structures Using Sparse Paramagnetic NMR Data and Physical Modeling

in Biological Modeling and Simulation

Kari Gaalswyk
Zhihong Liu
Hans J. Vogel
Justin L. MacCallum

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2021.676268

5,297 views
7 citations

Original Research

Published on 10 Jul 2015

Conformational heterogeneity of the Pfr chromophore in plant and cyanobacterial phytochromes

in Biophysics

Francisco Velazquez Escobar
David von Stetten
Mina Günther-Lütkens
Anke Keidel
Norbert Michael
Tilman Lamparter
Lars-Oliver Essen
Jon Hughes
Wolfgang Gärtner
Yang Yang

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2015.00037

5,993 views
29 citations

Original Research

Published on 22 Aug 2025

Viral replication modulated by hallmark conformational ensembles: how AlphaFold-predicted features of RdRp folding dynamics combined with intrinsic disorder-mediated function enable RNA virus discovery

in Systems Virology

Rachid Tahzima
Justine Charon
Adrian Diaz
Kris De Jonghe
Sebastien Massart
Thierry Michon
Wim Vranken

Frontiers in Virology

doi 10.3389/fviro.2025.1501616

2,670 views

Original Research

Published on 08 Sep 2022

DeepHEMNMA: ResNet-based hybrid analysis of continuous conformational heterogeneity in cryo-EM single particle images

in Structural Biology

Ilyes Hamitouche
Slavica Jonic

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.965645

5,199 views
33 citations

Original Research

Published on 25 Apr 2022

Computational Insights of Unfolding of N-Terminal Domain of TDP-43 Reveal the Conformational Heterogeneity in the Unfolding Pathway

in Molecular Signalling and Pathways

Ruiting Li
Ruhar Singh
Tara Kashav
ChunMin Yang
Ravi Datta Sharma
Andrew M. Lynn
Rajendra Prasad
Amresh Prakash
Vijay Kumar

Frontiers in Molecular Neuroscience

doi 10.3389/fnmol.2022.822863

3,859 views
11 citations

Original Research

Published on 22 Apr 2021

Refinement of α-Synuclein Ensembles Against SAXS Data: Comparison of Force Fields and Methods

in Biological Modeling and Simulation

Mustapha Carab Ahmed
Line K. Skaanning
Alexander Jussupow
Estella A. Newcombe
Birthe B. Kragelund
Carlo Camilloni
Annette E. Langkilde
Kresten Lindorff-Larsen

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2021.654333

9,382 views
89 citations

Original Research

Published on 08 May 2020

Structure-Function Relationship of Inclusion Bodies of a Multimeric Protein

in Microbial Physiology and Metabolism

Anupam Singh
Vaibhav Upadhyay
Akansha Singh
Amulya K. Panda

Frontiers in Microbiology

doi 10.3389/fmicb.2020.00876

14,026 views
29 citations

Original Research

Published on 26 May 2021

How to Determine Accurate Conformational Ensembles by Metadynamics Metainference: A Chignolin Study Case

in Biological Modeling and Simulation

Cristina Paissoni
Carlo Camilloni

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2021.694130

7,543 views
13 citations

Review

Published on 29 May 2024

The advent of preventive high-resolution structural histopathology by artificial-intelligence-powered cryogenic electron tomography

in Structural Biology

Jesús G. Galaz-Montoya

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2024.1390858

4,551 views
6 citations

Review

Published on 11 Feb 2026

Connecting the dots: deep learning-based automated model building methods in cryo-EM

in Structural Biology

Harsh Bansia
Amedee des Georges

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2025.1613399

1,111 views

Review

Published on 23 Feb 2018

Structural and Mechanistic Basis for Extended-Spectrum Drug-Resistance Mutations in Altering the Specificity of TEM, CTX-M, and KPC β-lactamases

in Structural Biology

Timothy Palzkill

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2018.00016

36,416 views
186 citations

Articles

An Integrative Approach to Determine 3D Protein Structures Using Sparse Paramagnetic NMR Data and Physical Modeling

Conformational heterogeneity of the Pfr chromophore in plant and cyanobacterial phytochromes

Viral replication modulated by hallmark conformational ensembles: how AlphaFold-predicted features of RdRp folding dynamics combined with intrinsic disorder-mediated function enable RNA virus discovery

DeepHEMNMA: ResNet-based hybrid analysis of continuous conformational heterogeneity in cryo-EM single particle images

Computational Insights of Unfolding of N-Terminal Domain of TDP-43 Reveal the Conformational Heterogeneity in the Unfolding Pathway

Refinement of α-Synuclein Ensembles Against SAXS Data: Comparison of Force Fields and Methods

Structure-Function Relationship of Inclusion Bodies of a Multimeric Protein

How to Determine Accurate Conformational Ensembles by Metadynamics Metainference: A Chignolin Study Case

The advent of preventive high-resolution structural histopathology by artificial-intelligence-powered cryogenic electron tomography

Connecting the dots: deep learning-based automated model building methods in cryo-EM

Structural and Mechanistic Basis for Extended-Spectrum Drug-Resistance Mutations in Altering the Specificity of TEM, CTX-M, and KPC β-lactamases