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Apprehensions and emerging solutions in ML-based protein structure prediction
Apprehensions and emerging solutions in ML-based protein structure prediction
The three-dimensional structure of proteins determines their function in vital biological processes. Thus, when the struct...
Generative artificial intelligence for de novo protein design
Generative artificial intelligence for de novo protein design
Engineering new molecules with desirable functions and properties has the potential to extend our ability to engineer prot...
Recent advances in data collection for Cryo-EM methods
Recent advances in data collection for Cryo-EM methods
Cookies are used by this site. Cookie SettingsAll content on this site: Copyright © 2024 Elsevier B.V., its licensors, an...
Modern approaches to improving phase contrast electron microscopy
Modern approaches to improving phase contrast electron microscopy
Although defocus can be used to generate partial phase contrast in transmission electron microscope images, cryo-electron ...
Confronting heterogeneity in cryogenic electron microscopy data: Innovative strategies and future perspectives with data-driven methods
Confronting heterogeneity in cryogenic electron microscopy data: Innovative strategies and future perspectives with data-driven methods
The surge in the influx of data from cryogenic electron microscopy (cryo-EM) experiments has intensified the demand for ro...
Graphene in cryo-EM specimen optimization
Graphene in cryo-EM specimen optimization
Specimen preparation is a critical but challenging step in high-resolution cryogenic electron microscopy (cryo-EM) structu...
Metamorphic proteins and how to find them
Metamorphic proteins and how to find them
In the last two decades, our existing notion that most foldable proteins have a unique native state has been challenged by...
Harnessing the 14-3-3 protein–protein interaction network
Harnessing the 14-3-3 protein–protein interaction network
Protein–protein interactions (PPIs) play a critical role in cellular signaling and represent interesting targets for thera...
Structural biology in the age of X-ray free-electron lasers and exascale computing
Structural biology in the age of X-ray free-electron lasers and exascale computing
Notice: This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of ...
Conformational changes of ribosomes during translation elongation resolved by molecular dynamics simulations
Conformational changes of ribosomes during translation elongation resolved by molecular dynamics simulations
Exascale computing provides access to unprecedented computational resources and it is worth considering the beneficial con...
How exascale computing can shape drug design: A perspective from multiscale QM/MM molecular dynamics simulations and machine learning-aided enhanced sampling algorithms
How exascale computing can shape drug design: A perspective from multiscale QM/MM molecular dynamics simulations and machine learning-aided enhanced sampling algorithms
Molecular simulations are an essential asset in the first steps of drug design campaigns. However, the requirement of high...
Multiscale biomolecular simulations in the exascale era
Multiscale biomolecular simulations in the exascale era
The complexity of biological systems and processes, spanning molecular to macroscopic scales, necessitates the use of mult...
Chromatin compaction by Polycomb group proteins revisited
Chromatin compaction by Polycomb group proteins revisited
The chromatin compaction activity of Polycomb group proteins has traditionally been considered essential for transcription...
Covalent fragment-based drug discovery for target tractability
Covalent fragment-based drug discovery for target tractability
An important consideration in drug discovery is the prioritization of tractable protein targets that are not only amenable...
Emerging structure-based computational methods to screen the exploding accessible chemical space
Emerging structure-based computational methods to screen the exploding accessible chemical space
Cookies are used by this site. Cookie SettingsAll content on this site: Copyright © 2024 Elsevier B.V., its licensors, an...
Emerging strategies for prospective discovery of molecular glue degraders
Emerging strategies for prospective discovery of molecular glue degraders
Targeted protein degradation is evolving into a key modality in drug discovery. Harnessing the endogenous protein degradat...
Deep learning for low-data drug discovery: Hurdles and opportunities
Deep learning for low-data drug discovery: Hurdles and opportunities
Deep learning is becoming increasingly relevant in drug discovery, from de novo design to protein structure prediction and...
Probing allosteric communication with combined molecular dynamics simulations and network analysis
Probing allosteric communication with combined molecular dynamics simulations and network analysis
Understanding the allosteric mechanisms within biomolecules involved in diseases is of paramount importance for drug disco...
CHARMM GUI Membrane Builder for oxidized phospholipid membrane modeling and simulation
CHARMM GUI Membrane Builder for oxidized phospholipid membrane modeling and simulation
Tissue injury and cell death lead to inflammation and the production of reactive oxygen species (ROS) that cause oxidative...
Investigations of membrane protein interactions in cells using fluorescence microscopy
Investigations of membrane protein interactions in cells using fluorescence microscopy
Membrane proteins are abundant in eukaryotic cells, comprising an estimated 30% of all genes [1]. They are key to many cel...
How the ribosome shapes cotranslational protein folding
How the ribosome shapes cotranslational protein folding
During protein synthesis, the growing nascent peptide chain moves inside the polypeptide exit tunnel of the ribosome from ...
Regulation of tau by peptidyl-prolyl isomerases
Regulation of tau by peptidyl-prolyl isomerases
Tau is an intrinsically disordered protein found abundantly in axons, where it binds to microtubules. Since tau is a centr...
Commonly asked questions about transcriptional activation domains
Commonly asked questions about transcriptional activation domains
KeywordsTranscriptionTranscription factorCoactivatorRNA polymerase IIActivation domainTransactivation domainTranscriptiona...
Integrative approaches for characterizing protein dynamics: NMR, CryoEM, and computer simulations
Integrative approaches for characterizing protein dynamics: NMR, CryoEM, and computer simulations
Proteins are the major components of the molecular machinery that keep cells and organisms alive, performing their tasks i...
Understanding the heterogeneity intrinsic to protein folding
Understanding the heterogeneity intrinsic to protein folding
Volume 84, February 2024, 102738Author links open overlay panel, AbstractRelating the native fold of a protein to its amin...
Dynamics and interactions of intrinsically disordered proteins
Dynamics and interactions of intrinsically disordered proteins
It has been 25 years since the concept of intrinsically disordered proteins (IDPs) was proposed [1]. IDPs with intrinsical...
Cryo-electron ptychography: Applications and potential in biological characterisation
Cryo-electron ptychography: Applications and potential in biological characterisation
There is a clear need for developments in characterisation techniques that provide detailed information about structure–fu...
Automated pipelines for rapid evaluation during cryoEM data acquisition
Automated pipelines for rapid evaluation during cryoEM data acquisition
In recent years, cryo-electron microscopy (cryoEM), especially single particle analysis, has experienced an increase in po...
Protein disaggregation machineries in the human cytosol
Protein disaggregation machineries in the human cytosol
The process of folding is a seminal event in the life of a protein, converting a newly synthesized polypeptide into the fu...
Artificial intelligence-driven antimicrobial peptide discovery
Artificial intelligence-driven antimicrobial peptide discovery
Antimicrobial resistance, fueled by antibiotic overuse that drives the emergence of resistant strains, is recognized as a ...
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