Structural plasticity of the Semliki Forest virus glycome upon interspecies transmission. by Crispin, M, Harvey, D, Bitto, D, Bonomelli, C, Edgeworth, M, Scrivens, J, Huiskonen, J, Bowden, T

“…Taken together, these data reveal the degree to which virally encoded protein structure and cellular processing enzymes shape the virion glycome during interspecies transmission of Semliki Forest virus.…”

G-protein-coupled receptor structure, ligand binding and activation as studied by solid-state NMR spectroscopy. by Ding, X, Zhao, X, Watts, A

“…The crystal structures obtained in the last 5 years provide the first opportunity to understand how protein structure dictates the unique functional properties of these complex signalling molecules. …”

Rescuing the function of mutant p53. by Bullock, A, Fersht, A

“…With thousands of such mutations identified in patients, how can a future cancer drug buttress this fragile protein structure and restore the cell's natural defence?…”

Aspects of native proteins are retained in vacuum. by Ruotolo, B, Robinson, C

“…This remains an intriguing phenomenon, given the importance placed on water molecules in stabilizing protein structure. As a consequence, the overall structure of protein molecules and their complexes in the gas phase continues to stimulate much research. …”

Protein interactions in human genetic diseases. by Schuster-Böckler, B, Bateman, A

“…We present a novel method that combines protein structure information with protein interaction data to identify residues that form part of an interaction interface. …”

Protein folding and interactions revealed by mass spectrometry. by Last, A, Robinson, C

“…Mass spectrometry is capable of examining very large, dynamic proteins and this ability, coupled with its relatively high throughput and low sample requirements, is reflected by its increasing importance for the characterisation of protein structure. Recent developments in mass spectrometry, in particular the refinement of the electrospray process and its coupling with time-of-flight mass analysis, mean that it is poised to contribute not only as a complementary tool but also with a defined role in many areas of chemical biology.…”

Parallel Geometric Hashing Algorithm For Protein Tertiary Structure. by Jaber, Khalid, Abdullah, Rosni, Othman, Fazilah

“…The amount of protein structure has become very huge nowadays, which has led to the need for improving algorithms to cope with this exponential increase. …”
Get full text

ProtAgents: Protein discovery via large language model multi-agent collaborations combining physics and machine learning by Ghafarollahi, Alireza, Buehler, Markus J.

“…Current methodologies for protein design often rely on AI-based models, such as surrogate models that address end-to-end problems by linking protein structure to material properties or vice versa. …”
Get full text

Predicting the triple beta-spiral fold from primary sequence data by Scanlon, Eben Louis, 1974-

Get full text

Structure and activity of protein-nanoparticle conjugates: towards a strategy for optimizing the interface by Aubin-Tam, Marie-Eve

Get full text

Molecular dynamics simulation with improved polarized protein-specific charge by Wei, Caiyi

“…Three different PPC charges calculation strategies were designed: 3-step charge update scheme, on-the-fly charge update scheme and static charges. Since protein structure dramatically changes during the folding period, static and conformational-depended charges are not able to characterize the real electronic distribution in accordance to immediate protein structure. …”
Get full text

Membrane proteins bind lipids selectively to modulate their structure and function. by Laganowsky, A, Reading, E, Allison, T, Ulmschneider, M, Degiacomi, M, Baldwin, A, Robinson, C

“…By resolving lipid-bound states, we then rank bound lipids on the basis of their ability to resist gas phase unfolding and thereby stabilize membrane protein structure. Lipids bind non-selectively and with high avidity to MscL, all imparting comparable stability; however, the highest-ranking lipid is phosphatidylinositol phosphate, in line with its proposed functional role in mechanosensation. …”

Membrane protein mechanotransduction: computational studies and analytics development by Dahl, A, Anna Caroline E. Dahl

“…Lipid emerges as an active structural element with the capacity to augment protein structure in the protein structure-function paradigm.…”

Radiation damage in protein crystallography: susceptibility study by Gerstel, M

“…<p>Protein structure models obtained from X-ray crystallography are subject to radiation damage. …”

Enhancing silkworm protein yield, extraction efficiency, structure, functionality, and antioxidant activity using ultrasound-, microwave-, and freeze–thaw-assisted methods by Phuangjit, Uraiwun, Klinkesorn, Utai, Tan, Chin Ping, Katekhong, Wattinee

“…Relationships of protein structure and functionality were also examined.…”

Machining protein microcrystals for structure determination by electron diffraction by Duyvesteyn, H, Kotecha, A, Ginn, H, Hecksel, C, Beale, E, De Haas, F, Evans, G, Zhang, P, Chiu, W, Stuart, D

“…This provides a vehicle for protein structure determination, bridging the crystal size gap between the nanometer scale of conventional electron diffraction and micron scale of synchrotron microfocus beamlines. …”

A scanning tunnelling microscopy study of Clostridium pasteurianum rubredoxin. by Mukhopadhyay, R, Davis, J, Kyritsis, P, Hill, H, Meyer, J

“…The metal-ligand site [Fe(III)-Cys4] appears distinct because of an enhancement of the tunnelling current over this region compared to the surrounding protein structure.…”

A scanning tunnelling microscopy study of Clostridium pasteurianum rubredoxin by Mukhopadhyay, R, Davis, J, Kyritsis, P, Hill, H, Meyer, J

“…The metal-ligand site [Fe (III)-Cys4] appears distinct because of an enhancement of the tunnelling current over this region compared to the surrounding protein structure. © 2000 Elsevier Science Inc. All rights reserved.…”

iMembrane: homology-based membrane-insertion of proteins. by Kelm, S, Shi, J, Deane, C

“…It projects the results of coarse-grained molecular dynamics simulations onto any membrane protein structure or sequence provided by the user. iMembrane is simple to use and is currently the only computational method allowing the rapid prediction of a membrane protein's lipid bilayer insertion. …”

Transformation-induced changes in the DNA-nuclear matrix interface, revealed by high-throughput analysis of DNA halos. by Wilson, R, Coverley, D

“…In higher eukaryotic nuclei, DNA is periodically anchored to an extraction-resistant protein structure, via matrix attachment regions. We describe a refined and accessible method to non-subjectively, rapidly and reproducibly measure both size and stability of the intervening chromatin loops, and use it to demonstrate that malignant transformation compromises the DNA-nuclear matrix interface.…”