Publications by authors named "Daniel Greve"

We employ weakly nonlinear theory to derive an amplitude equation for the conserved-Hopf instability, i.e., a generic large-scale oscillatory instability for systems with two conservation laws.

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We briefly review recent advances in the hydrodynamic modeling of the dynamics of droplets on adaptive substrates, in particular, solids that are covered by polymer brushes. Thereby, the focus is on long-wave and full-curvature variants of mesoscopic hydrodynamic models in gradient dynamics form. After introducing the approach for films/drops of nonvolatile simple liquids on a rigid smooth solid substrate, it is first expanded to an arbitrary number of coupled degrees of freedom before considering the specific case of drops of volatile liquids on brush-covered solids.

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We study the static and dynamic wetting of adaptive substrates using a mesoscopic hydrodynamic model for a liquid droplet on a solid substrate covered by a polymer brush. First, we show that on the macroscale Young's law still holds for the equilibrium contact angle and that on the mesoscale a Neumann-type law governs the shape of the wetting ridge. Following an analytic and numeric assessment of the static profiles of droplet and wetting ridge, we examine the dynamics of the wetting ridge for a liquid meniscus that is advanced at constant mean speed.

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Article Synopsis
  • Artificial intelligence and machine learning are being utilized in predictive chemistry and planning for synthesizing small molecules, which is gaining traction among companies in the field.
  • The Machine Learning for Pharmaceutical Discovery and Synthesis (MLPDS) consortium, made up of MIT and various industry partners, is developing a data-driven synthesis planning program.
  • This perspective discusses the integration of predictive models into medicinal chemistry workflows, their current applications in MLPDS member companies, and the future prospects of this technology.
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Janus kinase (JAK) inhibitors are emerging as novel and efficacious drugs for treating psoriasis and other inflammatory skin disorders, but their full potential is hampered by systemic side effects. To overcome this limitation, we set out to discover soft drug JAK inhibitors for topical use. A fragment screen yielded an indazole hit that was elaborated into a potent JAK inhibitor using structure-based design.

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