4.7 Article

Impact of protein conformational diversity on AlphaFold predictions

Related references

Note: Only part of the references are listed.
Article Biochemistry & Molecular Biology

Deep learning techniques have significantly impacted protein structure prediction and protein design

Robin Pearce et al.

Summary: The application of deep neural networks in protein structure prediction and design has significantly improved accuracy at the fold level for single-domain proteins. Information stored in neural-network models can advance functional protein design, and the incorporation of deep learning techniques represents an exciting future direction for both fields.

CURRENT OPINION IN STRUCTURAL BIOLOGY (2021)

Article Multidisciplinary Sciences

Highly accurate protein structure prediction with AlphaFold

John Jumper et al.

Summary: Proteins are essential for life, and accurate prediction of their structures is a crucial research problem. Current experimental methods are time-consuming, highlighting the need for accurate computational approaches to address the gap in structural coverage. Despite recent progress, existing methods fall short of atomic accuracy in protein structure prediction.

NATURE (2021)

Article Multidisciplinary Sciences

Highly accurate protein structure prediction for the human proteome

Kathryn Tunyasuvunakool et al.

Summary: Using the AlphaFold method, the structural coverage of the proteome has been significantly expanded, covering 98.5% of human proteins with 58% of residues having confident predictions and 36% having very high confidence. Introducing new metrics to interpret the dataset and identify disordered regions, this study aims to provide high-quality predictions for generating biological hypotheses.

NATURE (2021)

Article Biochemistry & Molecular Biology

Topology evaluation of models for difficult targets in the 14th round of the critical assessment of protein structure prediction

Lisa N. Kinch et al.

Summary: This report summarizes the tertiary structure prediction assessment of difficult modeling targets in CASP14, with the top-performing AlphaFold2 group providing high quality models. Despite significant progress in protein structure prediction, challenges remain with flexible regions and obligate oligomeric assemblies. Performance-based PCA and heatmap clusters offer insight into target difficulties and successful structure prediction methodologies.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2021)

Article Biochemical Research Methods

Inherent versus induced protein flexibility: Comparisons within and between apo and holo structures

Jordan J. Clark et al.

PLOS COMPUTATIONAL BIOLOGY (2019)

Article Biochemistry & Molecular Biology

The functional importance of structure in unstructured protein regions

Norman E. Davey

CURRENT OPINION IN STRUCTURAL BIOLOGY (2019)

Article Biochemical Research Methods

On the dynamical incompleteness of the Protein Data Bank

Cristina Marino-Buslje et al.

BRIEFINGS IN BIOINFORMATICS (2019)

Article Biochemistry & Molecular Biology

How is structural divergence related to evolutionary information?

Diego Zea et al.

MOLECULAR PHYLOGENETICS AND EVOLUTION (2018)

Article Chemistry, Multidisciplinary

Dynamics fingerprints of active conformers of epidermal growth factor receptor kinase

German P. Barletta et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2018)

Article Biochemistry & Molecular Biology

Homology modeling in a dynamical world

Alexander Miguel Monzon et al.

PROTEIN SCIENCE (2017)

Article Biochemical Research Methods

Conformational diversity analysis reveals three functional mechanisms in proteins

Alexander Miguel Monzon et al.

PLOS COMPUTATIONAL BIOLOGY (2017)

Article Biochemical Research Methods

OpenMM 7: Rapid development of high performance algorithms for molecular dynamics

Peter Eastman et al.

PLOS COMPUTATIONAL BIOLOGY (2017)

Article Multidisciplinary Sciences

Pockets as structural descriptors of EGFR kinase conformations

Marcia Anahi Hasenahuer et al.

PLOS ONE (2017)

Review Chemistry, Multidisciplinary

The principle of conformational signaling

Peter Tompa

CHEMICAL SOCIETY REVIEWS (2016)

Article Biochemistry & Molecular Biology

Conformational Dynamics and Allostery in Pyruvate Kinase

Katherine A. Donovan et al.

JOURNAL OF BIOLOGICAL CHEMISTRY (2016)

Article Biochemical Research Methods

Evolutionary Conserved Positions Define Protein Conformational Diversity

Tadeo E. Saldano et al.

PLOS COMPUTATIONAL BIOLOGY (2016)

Article Biochemistry & Molecular Biology

Conformational diversity and the emergence of sequence signatures during evolution

Gustavo Parisi et al.

CURRENT OPINION IN STRUCTURAL BIOLOGY (2015)

Article Chemistry, Physical

Decoding the Mobility and Time Scales of Protein Loops

Yina Gu et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)

Review Biochemistry & Molecular Biology

Substrate tunnels in enzymes: Structure-function relationships and computational methodology

Laura J. Kingsley et al.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2015)

Review Chemistry, Multidisciplinary

The Dynamical Nature of Enzymatic Catalysis

Robert Callender et al.

ACCOUNTS OF CHEMICAL RESEARCH (2015)

Review Multidisciplinary Sciences

The ensemble nature of allostery

Hesam N. Motlagh et al.

NATURE (2014)

Review Chemistry, Multidisciplinary

Gates of Enzymes

Artur Gora et al.

CHEMICAL REVIEWS (2013)

Article Biochemistry & Molecular Biology

Protein Conformational Diversity Correlates with Evolutionary Rate

Diego Javier Zea et al.

MOLECULAR BIOLOGY AND EVOLUTION (2013)

Article Biochemistry & Molecular Biology

BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions

Jianyi Yang et al.

NUCLEIC ACIDS RESEARCH (2013)

Article Multidisciplinary Sciences

Classification of Domain Movements in Proteins Using Dynamic Contact Graphs

Daniel Taylor et al.

PLOS ONE (2013)

Article Multidisciplinary Sciences

Coevolutionary signals across protein lineages help capture multiple protein conformations

Faruck Morcos et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2013)

Article Biochemistry & Molecular Biology

Interplay between allostery and intrinsic disorder in an ensemble

Hesam N. Motlagh et al.

BIOCHEMICAL SOCIETY TRANSACTIONS (2012)

Article Biochemistry & Molecular Biology

Sequence Evolution Correlates with Structural Dynamics

Ying Liu et al.

MOLECULAR BIOLOGY AND EVOLUTION (2012)

Article Biochemistry & Molecular Biology

Unstructural biology coming of age

Peter Tompa

CURRENT OPINION IN STRUCTURAL BIOLOGY (2011)

Article Biochemistry & Molecular Biology

Molecular Evolution of Protein Conformational Changes Revealed by a Network of Evolutionarily Coupled Residues

Jouhyun Jeon et al.

MOLECULAR BIOLOGY AND EVOLUTION (2011)

Article Biochemistry & Molecular Biology

The Effect of Sequence Evolution on Protein Structural Divergence

Simon G. Williams et al.

MOLECULAR BIOLOGY AND EVOLUTION (2009)

Article Biochemistry & Molecular Biology

The role of dynamic conformational ensembles in biomolecular recognition

David D. Boehr et al.

NATURE CHEMICAL BIOLOGY (2009)

Article Biochemistry & Molecular Biology

Structure is three to ten times more conserved than sequence-A study of structural response in protein cores

Kristoffer Illergard et al.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2009)

Review Biochemistry & Molecular Biology

The Origin of Allosteric Functional Modulation: Multiple Pre-existing Pathways

Antonio del Sol et al.

STRUCTURE (2009)

Article Biochemistry & Molecular Biology

Evolutionary plasticity of protein families: Coupling between sequence and structure variation

AR Panchenko et al.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2005)

Article Biochemistry & Molecular Biology

Conformational change in substrate binding, catalysis and product release: an open and shut case?

A Gutteridge et al.

FEBS LETTERS (2004)

Article Biochemistry & Molecular Biology

Crystal structure of unligated guanylate kinase from yeast reveals GMP-induced conformational changes

J Blaszczyk et al.

JOURNAL OF MOLECULAR BIOLOGY (2001)

Article Biochemistry & Molecular Biology

Conformational change of proteins arising from normal mode calculations

F Tama et al.

PROTEIN ENGINEERING (2001)

Article Biophysics

Anisotropy of fluctuation dynamics of proteins with an elastic network model

AR Atilgan et al.

BIOPHYSICAL JOURNAL (2001)