Current Opinion in Structural Biology

Article	Citations
Simultaneous codon usage, the origin of the proteome, and the emergence of de-novo proteins	212
Editorial overview: Artificial intelligence (AI) methodologies in structural biology	129
Centrosomes in disease: how the same music can sound so different?	110
Deep learning techniques have significantly impacted protein structure prediction and protein design	104
Computational strategies for protein conformational ensemble detection	104
Protein structure-based evaluation of missense variants: Resources, challenges and future directions	98
TADs: Dynamic structures to create stable regulatory functions	88
Reweighting methods for elucidation of conformation ensembles of proteins	86
In-cell NMR: From target structure and dynamics to drug screening	86
Single-particle Cryo-EM and molecular dynamics simulations: A perfect match	81
Understanding the structure and function of Plasmodium aminopeptidases to facilitate drug discovery	72
Multiscale kinetic analysis of proteins	71
Mechanistic insights into fungal mitochondrial outer membrane protein biogenesis	68
Pump-like channelrhodopsins: Not just bridging the gap between ion pumps and ion channels	68
Editorial overview: Catalysis and regulation: The beating heart of biology	66
Visualizing everything, everywhere, all at once: Cryo-EM and the new field of structureomics	65
The new epoch of structural insights into radical SAM enzymology	64
Editorial Board	64
Editorial overview: Folding and Binding (2024)	63
Regulation of tau by peptidyl-prolyl isomerases	61
Addressing high excitation conditions in time-resolved X-ray diffraction experiments and issues of biological relevance	60
Structural biology and inhibition of the Mtb cell wall glycoconjugates biosynthesis on the membrane	57
HATs meet structural biology	56
Editorial Board	56
Editorial Board	55

Mutational fitness landscape and drug resistance	54
Editorial Board	53
Molecular tools for probing the microbiome	53
Mechanistic similarities in recognition of histone tails and DNA by epigenetic readers	49
RNA helicases are hubs that orchestrate exosome-dependent 3′–5′ decay	49
Evolution of the centrosome, from the periphery to the center	48
Centriole length control	47
3D genome organization and beyond!	46
Structural highlights of macromolecular complexes and assemblies	46
Structural determinants of regulated proteolysis in pathogenic bacteria by ClpP and the proteasome	45
Organization of transcription and 3D genome as revealed by live-cell imaging	45
Editorial Board	45
The material state of centrosomes: lattice, liquid, or gel?	44
Generative artificial intelligence for de novo protein design	43
Advancing biomolecular simulation through exascale HPC, AI and quantum computing	42
Federated learning for molecular discovery	42
Metamorphic proteins and how to find them	41
Molecular models of bidirectional promoter regulation	41
Glycosylation as a key parameter in the design of nucleic acid vaccines	41
From disorder comes function: Regulation of small GTPase function by intrinsically disordered lipidated membrane anchor	41
Structure-based virtual screening of vast chemical space as a starting point for drug discovery	41
Long non-coding RNAs in the nucleolus: Biogenesis, regulation, and function	41
Toward complete rational control over protein structure and function through computational design	40
Anatomy of the fungal microtubule organizing center, the spindle pole body	40
How much can physics do for protein design?	39
Probing allosteric communication with combined molecular dynamics simulations and network analysis	39
Single-cell mapping of cell-type specific chromatin architecture in the central nervous system	39
Combining crystallography with quantum mechanics	39
Bonds and bytes: The odyssey of structural biology	38
The confluence of machine learning and multiscale simulations	38
May the proton motive force be with you: A plant transporter review	38
The role of local versus nonlocal physicochemical restraints in determining protein native structure	38
Catalysis and structure of nitrogenases	37
Centrosome organization and functions	37
Constant pH molecular dynamics simulations: Current status and recent applications	36
Charting the complex composite nature of centrosomes, primary cilia and centriolar satellites	36
In silico reconstitution of DNA replication. Lessons from single-molecule imaging and cryo-tomography applied to single-particle cryo-EM	36
Accessorizing the centrosome: new insights into centriolar appendages and satellites	36
SOD1 oligomers in amyotrophic lateral sclerosis	35
Finding functional motifs in protein sequences with deep learning and natural language models	35
Connecting the dots: Computational network analysis for disease insight and drug repurposing	35
Expansion microscopy: A chemical approach for super-resolution microscopy	35
Artificial intelligence in the experimental determination and prediction of macromolecular structures	35
Unifying coarse-grained force fields for folded and disordered proteins	35
Recent advances and current trends in cryo-electron microscopy	34
Multifaceted interactions mediated by intrinsically disordered regions play key roles in alpha synuclein aggregation	34
Chromatin compaction by Polycomb group proteins revisited	33
Graph neural network approaches for drug-target interactions	33
Data-driven computational protein design	33
Artificial intelligence challenges for predicting the impact of mutations on protein stability	32

Artificial intelligence-driven antimicrobial peptide discovery	32
Structural basis for DNA sequence recognition by pioneer factors in nucleosomes	31
Miniature CRISPR-Cas12 endonucleases – Programmed DNA targeting in a smaller package	31
PARP–nucleic acid interactions: Allosteric signaling, PARP inhibitor types, DNA bridges, and viral RNA surveillance	31
Frontiers in the enzymology of thiamin diphosphate-dependent enzymes	31
Harnessing the 14-3-3 protein–protein interaction network	31
Apprehensions and emerging solutions in ML-based protein structure prediction	31
How molecular modelling can better broaden the understanding of glycosylations	30
Deep learning in modeling protein complex structures: From contact prediction to end-to-end approaches	30
Untangling the pseudoknots of SARS-CoV-2: Insights into structural heterogeneity and plasticity	29
The twisting elevator mechanism of glutamate transporters reveals the structural basis for the dual transport-channel functions	29
Revealing bacterial cell biology using cryo-electron tomography	29
The role of intrinsic protein disorder in regulation of cyclin-dependent kinases	29
Advances in machine learning for directed evolution	28
Access and utilization of long chain fatty acyl-CoA by zDHHC protein acyltransferases	28
Heterotypic amyloid interactions: Clues to polymorphic bias and selective cellular vulnerability?	28
Open data and algorithms for open science in AI-driven molecular informatics	27
Genome modeling: From chromatin fibers to genes	27
Advances and applications of microcrystal electron diffraction (MicroED)	27
Artificial intelligence based methods for hot spot prediction	26
Computer-aided drug design, quantum-mechanical methods for biological problems	26
Recent progress in general force fields of small molecules	26
Towards an atomic model of a beating ciliary axoneme	26
Serial synchrotron and XFEL crystallography for studies of metalloprotein catalysis	25
Context-dependent, fuzzy protein interactions: Towards sequence-based insights	25
Recent progress in membrane protein dynamics revealed by X-ray free electron lasers: Molecular movies of microbial rhodopsins	25
Characterizing protein-protein interactions with thermal proteome profiling	25
Functional and pathological amyloid structures in the eyes of 2020 cryo-EM	25
Impact of ancestral sequence reconstruction on mechanistic and structural enzymology	25
Transcriptional machinery as an architect of genome structure	25
Solving the structural puzzle of bacterial glycome	25
Catalysis by Nature's photoenzymes	25
Editorial	24
Editorial overview: Cryo-electron microscopy	24
Editorial overview: Protein networks in health and disease	24
Single particle cryo-EM map and model validation: It's not crystal clear	24
Characterizing heterogeneity in amyloid formation processes	24
Protein disaggregation machineries in the human cytosol	23
AI-based methods for biomolecular structure modeling for Cryo-EM	23
Protein binding and folding through an evolutionary lens	23
Advances in structure-based allosteric drug design	23
Systematic design of biomolecular force fields	22
Covalent fragment-based drug discovery for target tractability	22
Artificial intelligence for high content imaging in drug discovery	22
Recent advances on the inhibition of human solute carriers: Therapeutic implications and mechanistic insights	22
Enhancing sampling with free-energy calculations	22
A structural framework for DNA replication and transcription through chromatin	22
NMR of glycoproteins: profiling, structure, conformation and interactions	21
Applications of cryo-EM in drug development for STING	21
β-barrel membrane proteins fold via hybrid-barrel intermediate states	21
Advancing structural biology through breakthroughs in AI	21
Tandem-repeat proteins conformational mechanics are optimized to facilitate functional interactions and complexations	21
Principles of nucleosome recognition by chromatin factors and enzymes	21
Modeling membranes in situ	21
Gut power: Modulation of human amyloid formation by amyloidogenic proteins in the gastrointestinal tract	21
Structures, dynamics, complexes, and functions: From classic computation to artificial intelligence	21
Emerging structural insights into C-type glycosyltransferases	20
Advances in the study of GPCRs by 19F NMR	20
Telomerase structural biology comes of age	20
Role of aberrant phase separation in pathological protein aggregation	20
Combining on-line spectroscopy with synchrotron and X-ray free electron laser crystallography	20
Proteins with alternative folds reveal blind spots in AlphaFold-based protein structure prediction	20
Protein N-glycosylation and O-mannosylation are catalyzed by two evolutionarily related GT-C glycosyltransferases	20
All over or overall – Do we understand allostery?	20
Constructing PCM with architecturally distinct higher-order assemblies	19
Editorial overview: Restructuring drug design and development	19
Editorial overview: Theory and simulation: Molecular modeling from atoms to complexes	19
Recent developments in catalysis and inhibition of the Jumonji histone demethylases	19
Structure-based drug design with geometric deep learning	19
Systems biology approaches to macromolecules: the role of dynamic protein assemblies in information processing	19
Editorial Overview: Protein-nucleic acid Interactions	19
Mucin networks: Dynamic structural assemblies controlling mucus function	19
Editorial overview: ‘The amazing power of physics to provide chemical insight into catalysis and regulation’ … something better …	19
Markov field models: Scaling molecular kinetics approaches to large molecular machines	19
Structure-based analyses of gut microbiome-related proteins by neural networks and molecular dynamics simulations	19
Mutually beneficial confluence of structure-based modeling of protein dynamics and machine learning methods	18
Table of contents	18
Recent developments in multiscale free energy simulations	18
Editorial overview: Biophysical methods: Exploring structures in motions, from biomolecules to cells, and how to drug them	18
Editorial overview: New insights and complexities for chromatin interacting proteins	18

Deciphering the dynamic codes: Advances in biomolecular modeling and simulation	18
Table of contents	18
Table of contents	18
Solution NMR investigations of integral membrane proteins: Challenges and innovations	18
Editorial overview: Protein–carbohydrate complexes and glycosylation	18
Mechanical forces and the 3D genome	17
Insane in the membrane: developments in protein folding, protein transport, and signaling by GPCRs	17
Editorial overview: Engineering, evolving, and designing proteins	17
Structural dynamics bridge the gap between the genetic and functional levels of GPCRs	17
Quantitative characterization of O-GalNAc glycosylation	17
Editorial Board	17
Minimalistic 3D chromatin models: Sparse interactions in single cells drive the chromatin fold and form many-body units	17
Editorial overview: Theory and simulation and their new friends	17
Dynamics, allostery, and stabilities of whole virus particles by amide hydrogen/deuterium exchange mass spectrometry (HDXMS)	17
Design and discovery of metamorphic proteins	17
Editorial overview: Sequences and topology: ‘paths from sequence to structure’	17
Artificial intelligence approaches for molecular representation in drug response prediction	17
Inner workings of RAG recombinase and its specialization for adaptive immunity	17
Editorial Board	17
Recent developments in empirical atomistic force fields for nucleic acids and applications to studies of folding and dynamics	17
Generative deep learning for macromolecular structure and dynamics	16
Structure of the nuclear pore complex goes atomic	16
Conformational entropy in molecular recognition of intrinsically disordered proteins	16
Modelling the assembly and flexibility of antibody structures	16
The method in the madness: Transcriptional control from stochastic action at the single-molecule scale	16
Design principles of protein switches	16
Designing better enzymes: Insights from directed evolution	16
Graphene in cryo-EM specimen optimization	16
Cryo-EM of the injectisome and type III secretion systems	16
Post-COVID highlights: Challenges and solutions of artificial intelligence techniques for swift identification of COVID-19	16
Recent advances in the structural biology of tyrosine kinases	16
Industrializing AI/ML during the end-to-end drug discovery process	16