biophysical modeling

The paper develops a multi-behavioral phenotyping approach in larval zebrafish to identify neurotoxic chemicals, finding chlorophene disrupts habituation via GABAARs and resembles Kv7 activator effects.

This study quantifies binding affinities of Wnt3a, Wnt5a, and Wnt16 to Frizzled receptors using NanoBRET in living cells, revealing LRP6's role in modulating these interactions.

This study uses molecular dynamics simulations to show that covalent adducts of small molecules with the disordered androgen receptor transactivation domain lead to heterogeneous, collapsed conformations.

The paper uses multiplex imaging and bioinformatics to show distinct MRTFA/B activation patterns in breast cancer subtypes and racial disparities in MRTFA expression.

This study characterizes the structural features of the WRC domain in GRF transcription factors, focusing on its role in DNA recognition and nuclear import.

This study shows that microtubule dynamics depend on the conformation and stability of clustered protofilaments, linking GTP hydrolysis to polymerization states.

This study reveals how the SARS-CoV-2 N-protein's interdomain linker drives dynamic self-assembly and phase separation through coiled-coil interactions.

The paper identifies Cpe1, an interbacterial cysteine protease toxin from E. coli, which inhibits bacterial growth by cleaving type II DNA topoisomerases GyrB and ParE, disrupting DNA replication and chromosome segregation.

This paper uses molecular dynamics simulations to show how rotation direction affects IF1's binding to ATP synthase, revealing atomic mechanisms for IF1 ejection and inhibition.

This study shows synaptic mitochondria prefer fatty acids over glucose for energy production, enhancing respiratory flexibility and ATP content in neurons.

This paper investigates how temozolomide crosses brain plasma membranes using molecular dynamics simulations, finding that it cannot cross by pure diffusion at normal body temperature but requires higher temperatures or assistance from cholesterol and cerebroside lipids.

This study identifies USP5 as the protease responsible for cleaving SDE2UBL, revealing a novel regulatory mechanism for SDE2 function through UBL-directed cleavage.

This study shows Rpn11 acts as an allosteric ubiquitin sensor in the proteasome, enhancing substrate degradation by stabilizing the proteasome's engagement state.

This study identifies Wag31's role in lipid homeostasis in mycobacteria by showing its tethering activity and interactions with membrane proteins.

This study identifies the SUMO-interacting motif in EPAC1 as critical for its subcellular targeting and functional regulation, including cAMP binding and signaling microdomain formation.

The paper identifies a novel 6mA-binding protein from Vibrio cholerae that recognizes the G6mAG motif, differing from DpnI's G6mATC specificity.

This study identifies two distinct motility modes in cell pairs using a biophysical model, showing differences between amoeboid and mesenchymal cell types.

This study identifies TIAM1-RAC1 signaling as a driver of prostatic budding and branching in BPH and suggests it as a therapeutic target.

This study identifies that phosphoribosyl ubiquitination of SNARE proteins STX17 and SNAP29 by Legionella SidE effectors regulates autophagy hijacking during infection.

This study develops heterobifunctional protein binders that selectively kill specific cell types by leveraging the abundance of FKBP12, demonstrating enhanced efficacy through cellular enrichment.

The paper describes the structure and function of the YbbAP-TesA complex, a Type VII ABC transporter lipid-hydrolase in E. coli, revealing its role in substrate extraction and hydrolysis.

This study investigates how mitochondrial inner membrane remodeling drives organelle shape changes, linking cristae formation to mitochondrial morphology and function.

This study identifies how the Arg507His mutation in FAN1 impairs its interaction with PCNA and DNA cleavage, accelerating Huntington's disease onset.

The paper identifies a compact Type IV IRES in the 3' UTR of megrivirus E, confirms its structure, and shows it enables translation of a downstream open reading frame with reduced activity compared to the 5' UTR IRES.

This study links DnaA activity oscillations to DNA replication initiation in E. coli, showing they persist independently of dnaA expression and proposing an extrusion model for regulation.

This study shows schistosomiasis cercariae enhance transmission by swimming at the air-water interface, improving host-encounter efficiency through physics-based behavior.

This paper identifies allosteric escape mutants of murine norovirus that constitutively adopt the activated conformation, providing insights for vaccine design.

The paper identifies molecular interactions between MAR1 and FUS1 that activate the HAP2 fusogen in Chlamydomonas gametes, revealing how species-specific adhesion initiates gamete fusion.

The paper investigates how venom vesicles from Ganaspis hookeri parasitoid wasps facilitate the entry of venom proteins, including SERCA, into host immune cells to suppress immune responses.

This study identifies PLA2G15 as a lysosomal BMP hydrolase and shows its targeting improves lysosomal disease symptoms in NPC1 models.