Tag: molecular dynamics

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 ...

A new computational study maps the host genes dysregulated in MPOX and identifies five repurposable drug candidates supported by docking ...

A new multiscale web server called InRegPep generates ensembles of amyloid protofilament models that matched experimental structures within 5 angstroms ...

Researchers at the University of Alabama in Huntsville have built an AI framework that treats protein motion like a signal, ...

Computational analysis identifies γ-glutamyl-S-propenylcysteine from shallots as a promising candidate inhibitor of H5N1 influenza viral proteins.