Unified atomistic modeling has the potential to accelerate discovery in chemistry, materials science, and biology by bridging data-rich chemical domains and data-scarce biological contexts. However, existing generative approaches to atomistic modeling remain highly specialized to scientific disciplines (chemistry vs. b...
M. Cretu, A. Abrudan, Antonia Panescu et al.· 0 citations
Tau transitions from a functional microtubule-stabilising monomer into pathological aggregates in tauopathies. However, the molecular mechanism by which soluble Tau transitions into insoluble aggregates remains poorly understood. Here, we show that modulation of Tau’s internal charge-charge interactions by pH and ionic...
Deep learning-based protein design is used to generate de novo binders capturing this region of α-synuclein in a β-strand conformation to establish a set of molecules that target distinct aggregation intermediates and mechanistically reshape αSyn assembly.
Yun-Xuan Zhang, Hannah L. Han, L. Ortigosa-Pascual et al.· bioRxiv· 0 citations
It is shown that excipient-mediated solubilization of therapeutic antibodies is markedly molecularly specific, and the integration of high-throughput experimentation with molecular feature analysis offers a foundation for improving the understanding and prediction of antibody-specific formulation behavior.
Zexiang Han, Nadia A. Erkamp, Rob M. Scrutton et al.· mAbs· 0 citations
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