Current Opinion in Structural Biology

Article	Citations
How molecular modelling can better broaden the understanding of glycosylations	271
HIV-1 gp160 in nanodiscs: Unravelling structures and guiding vaccine design	193
Editorial	156
Harnessing the 14-3-3 protein–protein interaction network	120
Optogenetic enzymes: A deep dive into design and impact	112
Mutational fitness landscape and drug resistance	107
Single-particle Cryo-EM and molecular dynamics simulations: A perfect match	105
Pump-like channelrhodopsins: Not just bridging the gap between ion pumps and ion channels	101
Recent advances in AI-driven pKa prediction for proteins and small molecules	93
Computer-aided drug design, quantum-mechanical methods for biological problems	89
Advancing biomolecular simulation through exascale HPC, AI and quantum computing	87
Structure-based virtual screening of vast chemical space as a starting point for drug discovery	82
Raman spectroscopy and imaging of protein droplet formation and aggregation	82
Genome modeling: From chromatin fibers to genes	81
Catalysis and structure of nitrogenases	79
May the proton motive force be with you: A plant transporter review	79
Next-generation predictors of protein phase behavior	77
Navigating protein–nucleic acid sequence-structure landscapes with deep learning	77
Access and utilization of long chain fatty acyl-CoA by zDHHC protein acyltransferases	76
Single-point mutations in disordered proteins: Linking sequence, ensemble, and function	70
Editorial Board	69
Markov field models: Scaling molecular kinetics approaches to large molecular machines	69
Mutually beneficial confluence of structure-based modeling of protein dynamics and machine learning methods	68
Editorial overview: Biophysical methods: Exploring structures in motions, from biomolecules to cells, and how to drug them	66
NMR tools to detect protein allostery	66

Modeling membranes in situ	64
Old and new tactics of CRISPR-centric competition between bacteria and bacteriophages	64
Advancing protein structure prediction beyond AlphaFold2	63
Advances in native cell membrane nanoparticles system	62
Mucin networks: Dynamic structural assemblies controlling mucus function	61
Dynamics and interactions of intrinsically disordered proteins	61
Molecular dynamics simulations for the study of chromatin biology	60
Deep learning for intrinsically disordered proteins: From improved predictions to deciphering conformational ensembles	60
Protein dynamics underlying allosteric regulation	60
The mannose receptor ligands and the macrophage glycome	59
Proteins with alternative folds reveal blind spots in AlphaFold-based protein structure prediction	56
Conformational penalties: New insights into nucleic acid recognition	56
In situ single-particle Cryo-EM methods: Principle and applications	56
Artificial intelligence in therapeutic antibody design: Advances and future prospects	54
CryoEM of V-ATPases: Assembly, disassembly, and inhibition	54
Therapeutic implications of target residence time	54
NMR of RNA - Structure and interactions	53
Dynamic interactions drive early spliceosome assembly	53
Table of contents	50
Table of contents	50
Macromolecular assemblies: Molecular mechanisms abound	49
Editorial overview: Molecular determinants, mechanisms, and state-of-the-art approaches in allostery	48
Probing protein–DNA interactions and compaction in nanochannels	48
Insight into the structural dynamics of light sensitive proteins from time-resolved crystallography and quantum chemical calculations	48
Biomolecular simulations at the exascale: From drug design to organelles and beyond	47
DDK promotes DNA replication initiation: Mechanistic and structural insights	46
Viral amyloids: New opportunities for antiviral therapeutic strategies	46
The role of RNA structure in 3’ end processing in eukaryotes	46
Structural insights into assembly of transcription preinitiation complex	46
Challenges and compromises: Predicting unbound antibody structures with deep learning	46
Photo-crosslinkers boost structural information from crosslinking mass spectrometry	45
Microsecond time-resolved cryo-electron microscopy	45
The opportunities and challenges posed by the new generation of deep learning-based protein structure predictors	45
Interplay of thermodynamics and evolution within the ternary ligand-GPCR-G protein complex	44
Structural host immune-microbiota interactions	44
Table of contents	44
Cryo-EM diversifies	44
Solid-state NMR of membrane proteins in situ	43
The CMG DNA helicase and the core replisome	43
Are N-linked glycans intrinsically disordered?	43
Structural biology in the age of X-ray free-electron lasers and exascale computing	43
Ligand-like lipid interactions with membrane proteins: Simulations and machine learning	42
A review of computational methods for predicting cancer drug response at the single-cell level through integration with bulk RNAseq data	42
Nuclear periphery and its mechanical regulation in cell fate transitions	42
Integrative modeling meets deep learning: Recent advances in modeling protein assemblies	42
Integrating AI in fighting advancing Alzheimer: diagnosis, prevention, treatment, monitoring, mechanisms, and clinical trials	42
Integrating cellular and molecular structures and dynamics into whole-cell models	41
Insights in bacterial genome folding	40
Entropy, enthalpy, and evolution: Adaptive trade-offs in protein binding thermodynamics	40
Machine learning approaches in predicting allosteric sites	40

Navigating the complexities of multi-domain protein folding	40
Frustration, dynamics, and catalysis	40
Influence of membrane on the antigen presentation of the HIV-1 envelope membrane proximal external region (MPER)	40
Reading the glyco-code: New approaches to studying protein–carbohydrate interactions	39
Advancing cryo-electron microscopy data analysis through accelerated simulation-based flexible fitting approaches	39
Protein diversification through post-translational modifications, alternative splicing, and gene duplication	39
Template matching and machine learning for cryo-electron tomography	39
Editorial Board	39
Structural basis of mRNA maturation: Time to put it together	38
Editorial overview: Protein-nucleic acid interactions: From origins to design	38
Structure-based approaches in synthetic lethality strategies	38
RETRACTED: Liquid-EM goes viral – visualizing structure and dynamics	38
Nucleosomes unwrapped: Structural perspectives on transcription through chromatin	38
In-cell chromatin structure by Cryo-FIB and Cryo-ET	37
Nexus between RNA conformational dynamics and functional versatility	37
Cryo-EM: A window into the dynamic world of RNA molecules	37
High-speed atomic force microscopy of membrane and membrane protein dynamics	37
Greater than the sum of parts: Mechanisms of metabolic regulation by enzyme filaments	36
Teaching AI to speak protein	36
Decrypting cryptic pockets with physics-based simulations and artificial intelligence	36
Advances in Protein-RNA aptamer recognition and modeling: Current trends and future perspectives	36
Applications and prospects of cryo-electron tomography in drug discovery and understanding disease	35
Mass spectrometry-based shotgun glycomics for discovery of natural ligands of glycan-binding proteins	34
Editorial Board	33
Histone deacetylase 10: A polyamine deacetylase from the crystal structure to the first inhibitors	33
Unlocking the secrets of cell boundaries: Exploring assemblies, machineries, and supercomplexes in membranes	33
Table of contents	33
Editorial overview: 3D Genome Chromatin organization and regulation	32
Editorial overview - New Concepts in Drug Discovery (2025)	32
The conformationally dynamic structural biology of lanthipeptide biosynthesis	32
The influence of lipids and biological membranes on the conformational equilibria of GPCRs: Insights from NMR spectroscopy	32
Absolute quantification of protein number and dynamics in single cells	32
Prediction of nucleic acid binding residues in protein sequences: Recent advances and future prospects	32
The material properties of mitotic chromosomes	31
Lipid scrambling: New players, new questions, new opportunities	31
Protein structure prediction in the deep learning era	31
Large-scale protein clustering in the age of deep learning	31
Interpreting chemical crosslinks: Score-based approaches and deep neural networks	31
Molecular insights into the catalysis and regulation of mammalian NAD-dependent isocitrate dehydrogenases	31
Automated pipelines for rapid evaluation during cryoEM data acquisition	31
Recent advances in machine learning predictions of protein-ligand binding affinities	30
Single-molecule fluorescence spectroscopy of fast protein dynamics	30
The evolving role of single-molecule force spectroscopy in protein biophysics	30
Application of message passing neural networks for molecular property prediction	30
Editorial Board	29
Machine learning for evolutionary-based and physics-inspired protein design: Current and future synergies	29
Editorial overview: Folding and Binding (2024)	29
Commonly asked questions about transcriptional activation domains	29
Application of AI in biological age prediction	29
Multiscale biomolecular simulations in the exascale era	29
Organization of transcription and 3D genome as revealed by live-cell imaging	28
Apprehensions and emerging solutions in ML-based protein structure prediction	28
The role of intrinsic protein disorder in regulation of cyclin-dependent kinases	28
Advances and applications of microcrystal electron diffraction (MicroED)	27
Metabolic disruptions through a three-dimensional genomic lens	27
Recent advances and current trends in cryo-electron microscopy	27
Context-dependent, fuzzy protein interactions: Towards sequence-based insights	27
Structural biology of γδ T cell receptors	27
PARP–nucleic acid interactions: Allosteric signaling, PARP inhibitor types, DNA bridges, and viral RNA surveillance	27
Modeling flexible RNA 3D structures and RNA-protein complexes	26
Recent progress in membrane protein dynamics revealed by X-ray free electron lasers: Molecular movies of microbial rhodopsins	26
Super-resolving chromatin in its own terms: Recent approaches to portray genomic organization	26
Generative artificial intelligence for de novo protein design	25
Minimal models for RNA simulations	25
Industrializing AI/ML during the end-to-end drug discovery process	25
Cryo-EM insights into tail-anchored membrane protein biogenesis in eukaryotes	25
Recent advances in AI-driven protein-ligand interaction predictions	25
Exascale simulations and beyond	25
Mechanical forces and the 3D genome	24
Editorial overview: ‘The amazing power of physics to provide chemical insight into catalysis and regulation’ … something better …	24
A practical look at cryo-electron tomography image processing: Key considerations for new biological discoveries	24
All-atom virus simulations to tackle airborne disease	24
Databases and web-based tools for studying structures of protein-nucleic acid complexes	24
View from the PEAKs: Insights from structural studies on the PEAK family of pseudokinases	24
Structures, dynamics, complexes, and functions: From classic computation to artificial intelligence	24
β-barrel membrane proteins fold via hybrid-barrel intermediate states	23
Sugar rush: Structural breakdown of plant sugar transport	23
Conformational heterogeneity and probability distributions from single-particle cryo-electron microscopy	23
Combining on-line spectroscopy with synchrotron and X-ray free electron laser crystallography	23
AlphaFold2 protein structure prediction: Implications for drug discovery	23

Frontiers in metalloprotein crystallography and cryogenic electron microscopy	23
Innovations in targeting RNA by fragment-based ligand discovery	23
Segmenting cryo-electron tomography data: Extracting models from cellular landscapes	23
Graphene in cryo-EM specimen optimization	23
Artificial intelligence methods for protein structure and interaction prediction: Recent advances and challenges	22
Table of contents	22
Membrane protein reconstitution : New possibilities for structural biology, biophysical methods, and antibody/drug discovery	22
Cryo-EM of the injectisome and type III secretion systems	22
Future prospects for human genetics and genomics in drug discovery	22
Distinguishing between concerted, sequential and barrierless conformational changes: Folding versus allostery	22
The evolution and mechanism of bacterial and archaeal ESCRT-III-like systems	22
Solution NMR goes big: Atomic resolution studies of protein components of molecular machines and phase-separated condensates	22
Global dynamics behind enzyme catalysis, evolution, and design	22
Single-molecule fluorescence imaging of DNA maintenance protein binding dynamics and activities on extended DNA	22
Table of contents	21
Visualizing RNA structure ensembles by single-molecule correlated chemical probing	21
Recent advances in modeling and simulation of biological phenomena in crowded and cellular environments	21
A structural perspective on enzymes and their catalytic mechanisms	21
Emerging structure-based computational methods to screen the exploding accessible chemical space	21
Conformational inhibitors of protein aggregation	21
Base excision repair hierarchy in eukaryotes: Intrinsically disordered region-mediated regulation of genomic surveillance and assembly dynamics	21
AI for targeted polypharmacology: The next frontier in drug discovery	21
Repair and tolerance of DNA damage at the replication fork: A structural perspective	21
Making the cut: Multiscale simulation of membrane remodeling	21
Helical reconstruction, again	21
Protein dynamics by the combination of high-speed AFM and computational modeling	21
Telomeric chromatin structure	20
How residence time works in allosteric drugs	20
Chromosome and protein folding: In search for unified principles	20
Editorial Board	20
Mechanism of primer synthesis by Primase-Polymerases	20
Editorial Board	20
Editorial overview–Artificial intelligence methodologies in structural biology: Bridging the gap to medical applications	20
Salipro technology in membrane protein research	20
Deep learning–based postprocessing and model building for cryo-electron microscopy maps	20
Allo-targeting of the kinase domain: Insights from in silico studies and comparison with experiments	20