Designing Small Molecules for Biodegradability

INTERACTION OF PROTEINS WITH SMALL MOLECULES

Designing refoldable model molecules.

We report a numerical study of the design of lattice heteropolymers that can refold when the properties of only a few monomers are changed. If we assume that the effect of an external agent on a heteropolymer is to alter the interactions between its constituent monomers, our simulations provide a description of a simple allosteric transition. We characterize the free energy surfaces of the init...

Kernels for small molecules

2 Graph kernels 2 2.1 Implementation . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 2.2 The Spectrum Kernel . . . . . . . . . . . . . . . . . . . . . . . . 2 2.3 The Tanimoto Kernel . . . . . . . . . . . . . . . . . . . . . . . . 3 2.4 The MinMax Kernel . . . . . . . . . . . . . . . . . . . . . . . . . 3 2.5 The Marginalized Kernel . . . . . . . . . . . . . . . . . . . . . . . 3 2.6 ...

Applications of Small Molecules in Muscle Tissue Engineering

Introduction: Skeletal muscles account for about 40% of the total body weight. Every year, hundreds of people lose at least part of their muscle tissue due to illness, war, and accidents. This can lead to disruption of activities such as breathing, movement, and social life. To this end, various therapeutic strategies such as medication therapy, cell therapy and tissue transplantation have been...

Designing Colloidal Molecules with Microfluidics

The creation of new colloidal materials involves the design of functional building blocks. Here, a microfluidic method for designing building blocks one by one, at high throughput, with a broad range of shapes is introduced. The method exploits a coupling between hydrodynamic interactions and depletion forces that controls the configurational dynamics of droplet clusters traveling in microfluid...