Biomolecular Modelling and Design Division
Mechanisms of allostery at the viral surface through the eyes of molecular simulation
The outermost surface layer of any virus is formed by either a capsid shell or envelope. Such layers have traditionally been thought of as immovable structures, but it is becoming apparent that they cannot be viewed exclusively as static architectures protecting the viral genome.
ReadBioactive Suture with Added Innate Defense Functionality for the Reduction of Bacterial Infection and Inflammation.
Of more than 300 million surgical procedures performed worldwide annually,[1] almost 10% develop surgical site infections (SSIs).[2] SSIs account for a substantial clinical and economic burden.[3] Although many factors contribute to SSIs, preventive measures before, during, and after surgery can lower the SSI incidence.[4] Causes of SSIs vary depending on anatomy, surgical procedure, and exogenous in addition to endogenous, patient-derived factors. Bacterial contamination is one cause that can be controlled.[4, 5] In hospitals, preventive measures such as hygiene routines are implemented but even under sterile surgical conditions, infections may occur due to the spread of bacteria from the patient's own bacterial flora.[6] It has also been reported that up to 60% of the bacteria recovered from infected surgical wounds developed antibiotic resistance.[7]
ReadElucidating the effect of poly(ethylene terephthalate) chain structure on its enzymatic degradation behaviour
Polyethylene terephthalate, chemical modification, crystallinity, structural characterization, thermal properties, enzymatic degradation
ReadMembrane platform protein PulF of the Klebsiella type II secretion system forms a trimeric ion channel essential for endopilus assembly and protein secretion
Type IV pili and type II secretion systems (T2SS) are crucial for bacterial adaptation, virulence, and environmental impact. A common mechanism underlying their multiple functions involves assembly of dynamic plasma membrane-anchored filaments—the (endo)pili.
ReadVariations of the Mycobacterium abscessus F-ATP synthase subunit a-c interface alter binding and potency of the anti-TB drug bedaquiline
The anti-tuberculosis therapeutic bedaquiline (BDQ) is used against Mycobacterium abscessus. In M. abscessus BDQ is only bacteriostatic and less potent compared to M. tuberculosis or M. smegmatis.
ReadDefining neutralization and allostery by antibodies against COVID-19 variants
The changing landscape of SARS-CoV-2 Spike protein is linked to the emergence of variants, immune-escape and reduced efficacy of the existing repertoire of anti-viral antibodies.
ReadDefining neutralization and allostery by antibodies against COVID-19 variants
The changing landscape of SARS-CoV-2 Spike protein is linked to the emergence of variants, immune-escape and reduced efficacy of the existing repertoire of anti-viral antibodies. The functional activity of neutralizing antibodies is linked to their quaternary changes occurring as a result of antibody-Spike trimer interactions. Here, we reveal the conformational dynamics and allosteric perturbations linked to binding of novel human antibodies and the viral Spike protein.
ReadTranscriptional repression by a secondary DNA binding surface of DNA topoisomerase I safeguards against hypertranscription
Regulation of global transcription output is important for normal development and disease, but little is known about the mechanisms involved. DNA topoisomerase I (TOP1) is an enzyme well-known for its role in relieving DNA supercoils for enabling transcription.
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