Current Opinion in Structural Biology

Article	Citations
HIV-1 gp160 in nanodiscs: Unravelling structures and guiding vaccine design	182
How molecular modelling can better broaden the understanding of glycosylations	181
Mutational fitness landscape and drug resistance	137
Editorial	129
Single-point mutations in disordered proteins: Linking sequence, ensemble, and function	127
Raman spectroscopy and imaging of protein droplet formation and aggregation	115
Catalysis and structure of nitrogenases	108
Pump-like channelrhodopsins: Not just bridging the gap between ion pumps and ion channels	100
Computer-aided drug design, quantum-mechanical methods for biological problems	99
Harnessing the 14-3-3 protein–protein interaction network	93
Optogenetic enzymes: A deep dive into design and impact	83
Single-particle Cryo-EM and molecular dynamics simulations: A perfect match	83
In silico reconstitution of DNA replication. Lessons from single-molecule imaging and cryo-tomography applied to single-particle cryo-EM	82
Access and utilization of long chain fatty acyl-CoA by zDHHC protein acyltransferases	82
Genome modeling: From chromatin fibers to genes	80
Advancing biomolecular simulation through exascale HPC, AI and quantum computing	80
May the proton motive force be with you: A plant transporter review	78
Structure-based virtual screening of vast chemical space as a starting point for drug discovery	77
Editorial overview: Biophysical methods: Exploring structures in motions, from biomolecules to cells, and how to drug them	76
Advances in native cell membrane nanoparticles system	74
Markov field models: Scaling molecular kinetics approaches to large molecular machines	74
Advancing protein structure prediction beyond AlphaFold2	72
Mutually beneficial confluence of structure-based modeling of protein dynamics and machine learning methods	72
Modeling membranes in situ	69
NMR tools to detect protein allostery	68

Structural insights into host–microbe glycointeractions	65
Editorial Board	65
Conformational penalties: New insights into nucleic acid recognition	60
Structure-based analyses of gut microbiome-related proteins by neural networks and molecular dynamics simulations	59
Implications of disease-related mutations at protein–protein interfaces	59
Molecular dynamics simulations for the study of chromatin biology	58
Gut power: Modulation of human amyloid formation by amyloidogenic proteins in the gastrointestinal tract	57
Proteins with alternative folds reveal blind spots in AlphaFold-based protein structure prediction	56
Dynamics and interactions of intrinsically disordered proteins	56
Mucin networks: Dynamic structural assemblies controlling mucus function	53
Deep learning for intrinsically disordered proteins: From improved predictions to deciphering conformational ensembles	53
Inner workings of RAG recombinase and its specialization for adaptive immunity	53
The mannose receptor ligands and the macrophage glycome	52
Principles of nucleosome recognition by chromatin factors and enzymes	51
Computational approaches to predict protein functional families and functional sites	50
Protein dynamics underlying allosteric regulation	50
The role of RNA structure in 3’ end processing in eukaryotes	48
Photo-crosslinkers boost structural information from crosslinking mass spectrometry	47
Table of contents	45
Table of contents	45
Editorial Board	44
Structural insights into assembly of transcription preinitiation complex	42
Artificial intelligence in therapeutic antibody design: Advances and future prospects	42
Macromolecular assemblies: Molecular mechanisms abound	42
Biomolecular simulations at the exascale: From drug design to organelles and beyond	42
Challenges and compromises: Predicting unbound antibody structures with deep learning	42
Dynamic interactions drive early spliceosome assembly	42
Probing protein–DNA interactions and compaction in nanochannels	42
Viral amyloids: New opportunities for antiviral therapeutic strategies	42
Insight into the structural dynamics of light sensitive proteins from time-resolved crystallography and quantum chemical calculations	41
DDK promotes DNA replication initiation: Mechanistic and structural insights	41
The opportunities and challenges posed by the new generation of deep learning-based protein structure predictors	41
CryoEM of V-ATPases: Assembly, disassembly, and inhibition	41
NMR of RNA - Structure and interactions	40
Editorial overview: Molecular determinants, mechanisms, and state-of-the-art approaches in allostery	39
Interpretable artificial intelligence and exascale molecular dynamics simulations to reveal kinetics: Applications to Alzheimer's disease	38
Table of contents	38
Microsecond time-resolved cryo-electron microscopy	38
Cryo-EM diversifies	38
Structural host immune-microbiota interactions	38
Integrating cellular and molecular structures and dynamics into whole-cell models	38
Nuclear periphery and its mechanical regulation in cell fate transitions	38
Integrative modeling meets deep learning: Recent advances in modeling protein assemblies	37
Structural biology in the age of X-ray free-electron lasers and exascale computing	37
Are N-linked glycans intrinsically disordered?	37
Frustration, dynamics, and catalysis	36
Interplay of thermodynamics and evolution within the ternary ligand-GPCR-G protein complex	36
Entropy, enthalpy, and evolution: Adaptive trade-offs in protein binding thermodynamics	36
Influence of membrane on the antigen presentation of the HIV-1 envelope membrane proximal external region (MPER)	35
Reading the glyco-code: New approaches to studying protein–carbohydrate interactions	35

Navigating the complexities of multi-domain protein folding	35
Solid-state NMR of membrane proteins in situ	35
Protein diversification through post-translational modifications, alternative splicing, and gene duplication	34
Template matching and machine learning for cryo-electron tomography	34
Insights in bacterial genome folding	34
Integrating AI in fighting advancing Alzheimer: diagnosis, prevention, treatment, monitoring, mechanisms, and clinical trials	34
A review of computational methods for predicting cancer drug response at the single-cell level through integration with bulk RNAseq data	34
The CMG DNA helicase and the core replisome	33
Editorial Board	33
Machine learning approaches in predicting allosteric sites	33
Nexus between RNA conformational dynamics and functional versatility	32
Mass spectrometry-based shotgun glycomics for discovery of natural ligands of glycan-binding proteins	31
Modeling biomolecular kinetics with large-scale simulation	31
Structural basis of mRNA maturation: Time to put it together	31
Advances in Protein-RNA aptamer recognition and modeling: Current trends and future perspectives	30
Cryo-EM: A window into the dynamic world of RNA molecules	30
RETRACTED: Liquid-EM goes viral – visualizing structure and dynamics	30
Nucleosomes unwrapped: Structural perspectives on transcription through chromatin	29
Mass spectrometry informs the structure and dynamics of membrane proteins involved in lipid and drug transport	29
New insights into Raf regulation from structural analyses	29
ACE2, B0AT1, and SARS-CoV-2 spike protein: Structural and functional implications	29
Measuring change in glycoprotein structure	29
Teaching AI to speak protein	29
Greater than the sum of parts: Mechanisms of metabolic regulation by enzyme filaments	29
In-cell chromatin structure by Cryo-FIB and Cryo-ET	29
Advancing cryo-electron microscopy data analysis through accelerated simulation-based flexible fitting approaches	29
The estrogen receptor/GATA3/FOXA1 transcriptional network: lessons learned from breast cancer	29
Computational design of novel protein–protein interactions – An overview on methodological approaches and applications	28
Table of contents	28
Structure-based approaches in synthetic lethality strategies	28
Editorial Board	28
Post-translational modification of RAS proteins	28
Editorial overview: 3D Genome Chromatin organization and regulation	28
Protein structure prediction in the deep learning era	27
Large-scale protein clustering in the age of deep learning	27
Multiscale simulations of large complexes in conjunction with cryo-EM analysis	27
Deep learning methods for 3D structural proteome and interactome modeling	27
Molecular insights into the catalysis and regulation of mammalian NAD-dependent isocitrate dehydrogenases	27
Editorial overview - New Concepts in Drug Discovery (2025)	27
Sculpting therapeutic monoclonal antibody N-glycans using endoglycosidases	27
Commonly asked questions about transcriptional activation domains	27
Prediction of nucleic acid binding residues in protein sequences: Recent advances and future prospects	27
Unlocking the secrets of cell boundaries: Exploring assemblies, machineries, and supercomplexes in membranes	27
Absolute quantification of protein number and dynamics in single cells	27
Machine learning for evolutionary-based and physics-inspired protein design: Current and future synergies	27
The influence of lipids and biological membranes on the conformational equilibria of GPCRs: Insights from NMR spectroscopy	27
Toward the equilibrium and kinetics of amyloid peptide self-assembly	26
The material properties of mitotic chromosomes	26
Interplay among transacting factors around promoter in the initial phases of transcription	26
Application of AI in biological age prediction	26
The conformationally dynamic structural biology of lanthipeptide biosynthesis	26
Automated pipelines for rapid evaluation during cryoEM data acquisition	26
Multiscale biomolecular simulations in the exascale era	26
Histone deacetylase 10: A polyamine deacetylase from the crystal structure to the first inhibitors	26
Application of message passing neural networks for molecular property prediction	25
Apprehensions and emerging solutions in ML-based protein structure prediction	25
Recent progress in membrane protein dynamics revealed by X-ray free electron lasers: Molecular movies of microbial rhodopsins	25
The role of intrinsic protein disorder in regulation of cyclin-dependent kinases	25
Adaptive machine learning for protein engineering	25
How much can physics do for protein design?	25
Super-resolving chromatin in its own terms: Recent approaches to portray genomic organization	25
Context-dependent, fuzzy protein interactions: Towards sequence-based insights	25
Editorial overview: Folding and Binding (2024)	25
Modeling flexible RNA 3D structures and RNA-protein complexes	25
Recent advances and current trends in cryo-electron microscopy	25
PARP–nucleic acid interactions: Allosteric signaling, PARP inhibitor types, DNA bridges, and viral RNA surveillance	25
Organization of transcription and 3D genome as revealed by live-cell imaging	24
Advances and applications of microcrystal electron diffraction (MicroED)	24
Exascale simulations and beyond	24
Structural basis for DNA sequence recognition by pioneer factors in nucleosomes	24
Recent advances in AI-driven protein-ligand interaction predictions	24
A practical look at cryo-electron tomography image processing: Key considerations for new biological discoveries	24
Industrializing AI/ML during the end-to-end drug discovery process	24
Editorial overview: Catalysis and regulation: The beating heart of biology	24
Generative artificial intelligence for de novo protein design	24
Editorial overview: ‘The amazing power of physics to provide chemical insight into catalysis and regulation’ … something better …	24
Combining on-line spectroscopy with synchrotron and X-ray free electron laser crystallography	23
Cryo-EM of the injectisome and type III secretion systems	23
Graphene in cryo-EM specimen optimization	23
Innovations in targeting RNA by fragment-based ligand discovery	23

Cryo-EM insights into tail-anchored membrane protein biogenesis in eukaryotes	23
Structures, dynamics, complexes, and functions: From classic computation to artificial intelligence	23
All-atom virus simulations to tackle airborne disease	22
Minimal models for RNA simulations	22
Databases and web-based tools for studying structures of protein-nucleic acid complexes	22
Recent developments in multiscale free energy simulations	22
Mechanical forces and the 3D genome	22
The evolution and mechanism of bacterial and archaeal ESCRT-III-like systems	22
Frontiers in metalloprotein crystallography and cryogenic electron microscopy	22
Segmenting cryo-electron tomography data: Extracting models from cellular landscapes	22
Solution NMR goes big: Atomic resolution studies of protein components of molecular machines and phase-separated condensates	22
Neutron crystallography for the elucidation of enzyme catalysis	21
Global dynamics behind enzyme catalysis, evolution, and design	21
Emerging structure-based computational methods to screen the exploding accessible chemical space	21
Conformational heterogeneity and probability distributions from single-particle cryo-electron microscopy	21
Table of contents	21
Making the cut: Multiscale simulation of membrane remodeling	21
Engineering the T cell receptor for fun and profit: Uncovering complex biology, interrogating the immune system, and targeting disease	21
Conformational inhibitors of protein aggregation	21
Structural enzymology of cholesterol biosynthesis and storage	21
β-barrel membrane proteins fold via hybrid-barrel intermediate states	21
Table of contents	21
Visualizing RNA structure ensembles by single-molecule correlated chemical probing	21
Single-molecule fluorescence imaging of DNA maintenance protein binding dynamics and activities on extended DNA	21
Understanding glycoprotein structural heterogeneity and interactions: Insights from native mass spectrometry	21
AI for targeted polypharmacology: The next frontier in drug discovery	21
Future prospects for human genetics and genomics in drug discovery	21
AlphaFold2 protein structure prediction: Implications for drug discovery	21
A structural perspective on enzymes and their catalytic mechanisms	21
View from the PEAKs: Insights from structural studies on the PEAK family of pseudokinases	21
Distinguishing between concerted, sequential and barrierless conformational changes: Folding versus allostery	20
Editorial Board	20
Editorial overview–Artificial intelligence methodologies in structural biology: Bridging the gap to medical applications	20
Protein dynamics by the combination of high-speed AFM and computational modeling	20
Repair and tolerance of DNA damage at the replication fork: A structural perspective	20
Time resolved applications for Cryo-EM; approaches, challenges and future directions	20
Editorial Board	20
Helical reconstruction, again	20
Table of contents	20
Chromosome and protein folding: In search for unified principles	20