Tag: molecular dynamics

A study of synthesized ketoprofen–thiazolidin-4-one hybrids found that AR3 reduced mouse paw edema more consistently than ketoprofen at later time ...

Molecular dynamics and electrophysiology experiments identify a salt-bridge-rich third interface that stabilizes Kv4.3–KChIP1 complexes and supports potassium-channel tetramerization.

A multi-method study links FeRbohB with rutin-associated responses in common buckwheat under PEG-simulated water deficit but does not establish a ...

A machine learning-optimized 13-residue peptide derived from frog skin rapidly kills carbapenem-resistant Acinetobacter baumannii, dismantles biofilms, and boosts meropenem's bactericidal ...

A new computational study suggests that next-generation CRBN E3 ligase modulators, particularly CC-885, may hold the key to overcoming mutation-driven ...

Researchers used RFdiffusion, ProteinMPNN, and molecular dynamics to design novel protein binders against the human sweet taste receptor TAS1R2, creating ...

Researchers optimized a cation-exchange process that recovers camel lactoferrin at roughly 90 percent purity and mapped how the protein unfolds ...

Scientists have long known that mucopolysaccharidosis type I, or MPS I, arises when a single lysosomal enzyme called α-ʟ-iduronidase (IDUA) ...

Using an AI-driven computational pipeline, researchers have designed and prioritized five peptide candidates that target the glypican-3 protein found on ...

A computational study combining multi-omics analysis and AI-driven drug discovery has identified WNT4 as a candidate molecular switch in exercise-mediated ...