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Enhancing sampling with free-energy calculations
Many important phenomena of biological relevance occur on timescales largely exceeding milliseconds (ms). Following, for i...
Constant pH molecular dynamics simulations: Current status and recent applications
Volume 77, December 2022, 102498AbstractMany important protein functions are carried out through proton-coupled conformati...
Dynamic views of molecular recognition in protein-nucleic acid complexes
Eugene Valkov received his doctorate in molecular biophysics from the University of Oxford in 2008. As a postdoc at the Me...
Methylations in vitamin B12 biosynthesis and catalysis
Vitamin B12 (cobalamin) is an essential micronutrient required by organisms from all domains of life [1]. Cobalamin cataly...
Editorial overview: Catalysis and regulation: The chemistry of catalysis
Nigel Scrutton earned his BSc from King's College, University of London and PhD in Biochemistry from the University of Cam...
Protein structure prediction in the deep learning era
Volume 77, December 2022, 102495AbstractSignificant advances have been achieved in protein structure prediction, especiall...
Catalysis by Nature's photoenzymes
Volume 77, December 2022, 102491AbstractPhotoenzymes use light to initiate biochemical reactions. Although rarely found in...
Integrative studies of 3D genome organization and chromatin structure
The structural organization of the genome is emerging as a crucial regulator of the cell state, affecting gene transcripti...
Telomeric chromatin structure
Eukaryotic DNA is packaged into nucleosomes, which further condenses into chromosomes. The telomeres, which form the prote...
Recent advances and current trends in cryo-electron microscopy
Volume 77, December 2022, 102484Highlights•Time-resolved cryo-EM captures short-lived molecular states on ms timescales.•C...
The mechanistic landscape of Lytic transglycosylase as targets for antibacterial therapy
Volume 77, December 2022, 102480AbstractLytic transglycosylases (Ltgs) are glycan strand cleaving enzymes whose role is po...
Interferon-induced transmembrane protein 3 (IFITM3) and its antiviral activity
Volume 77, December 2022, 102467AbstractInfections caused by enveloped viruses require fusion with cellular membranes for ...
Multi-scale gene regulation mechanism: Spatiotemporal transmission of genetic information
Gene expression is regulated by many factors, including transcription factors, chromatin three-dimensional topology, modif...
Molecular dynamics simulations for the study of chromatin biology
The organization of Eukaryotic DNA into chromatin has profound implications for the processing of genetic information. In ...
Editorial overview: Understanding membrane and membrane proteins: Where do we go now?
Manuel Palacín graduated from the University of Barcelona in 1979 and obtained a Ph.D. degree in 1983 in the University of...
Starting a new chapter on class Ia ribonucleotide reductases
Ribonucleotide reductases (RNRs) use radical-based chemistry to convert ribonucleotides into deoxyribonucleotides, an esse...
Serial femtosecond crystallography approaches to understanding catalysis in iron enzymes
Enzymes with iron-containing active sites play crucial roles in catalysing a myriad of oxidative reactions essential to ae...
New opportunities in integrative structural modeling
Integrative structural modeling enables structure determination of macromolecules and their complexes by integrating data ...
Protein motions visualized by femtosecond time-resolved crystallography: The case of photosensory vs photosynthetic proteins
Volume 77, December 2022, 102481Highlights•Crystallography reveals protein structural changes with femtosecond time-resolu...
Access and utilization of long chain fatty acyl-CoA by zDHHC protein acyltransferases
Volume 77, December 2022, 102463AbstractS-acylation is a reversible posttranslational modification, where a long-chain fat...
Reweighting methods for elucidation of conformation ensembles of proteins
Volume 77, December 2022, 102470AbstractProteins are inherently dynamic macromolecules that exist in equilibrium among mul...
Cryo-EM diversifies
Susan M. Lea is the Chief of the Center for Structural Biology at the National Cancer Institute in Frederick, Maryland, US...
Editorial overview: Protein–carbohydrate complexes and glycosylation
Joseph Zaia's research group focusses on analytical biochemistry of glycoproteins and proteoglycans. They have developed m...
Studying membrane modulation mechanisms by electron cryo-tomography
Volume 77, December 2022, 102464Highlights•CryoET images proteins associated with membranes in vitro and in situ.•CryoET u...
Miniature CRISPR-Cas12 endonucleases – Programmed DNA targeting in a smaller package
Volume 77, December 2022, 102466AbstractCRISPR-associated (Cas) endonucleases specifically target and cleave RNA or DNA ba...
New insights into DNA polymerase mechanisms provided by time-lapse crystallography
Volume 77, December 2022, 102465AbstractDNA polymerases play central roles in DNA replication and repair by catalyzing tem...
Markov field models: Scaling molecular kinetics approaches to large molecular machines
Volume 77, December 2022, 102458AbstractWith recent advances in structural biology, including experimental techniques and ...
From structure and dynamics to biomolecular functions: The ubiquitous role of solvent in biology
Volume 77, December 2022, 102462AbstractBiological activity requires a solvent that can provide a suitable environment, wh...
How does it really move? Recent progress in the investigation of protein nanosecond dynamics by NMR and simulation
Volume 77, December 2022, 102459Highlights•Nanosecond motions in proteins can be investigated by NMR relaxation and molecu...
Structural studies of the spliceosome: Bridging the gaps
Volume 77, December 2022, 102461AbstractThe spliceosome is a multi-megadalton RNA–protein complex responsible for the remo...