Publications associées à Computational Studies of Redox-Active Chemical and Biological Systems

Publications associées (6)

Applications of Artificial Intelligence to Computational Chemistry

The calculation of the electronic structure of chemical systems, necessitates computationally expensive approximations to the time-independent electronic Schrödinger equation in order to yield static properties in good agreement with experimental results. ...

EPFL2019

Characterization at the Atomistic Level of Defective Structures in Complex Materials : A Theoretical Study

Piyush Agrawal

Defects are key to enhance or deploy particular materials properties. In this thesis I present analyses of the impact of defects on the electronic structure of materials using combined experimental and theoretical Electron energy loss spectroscopy (EELS) i ...

EPFL2017

What Singles Out the G[8-5]C Intrastrand DNA Cross-Link? Mechanistic and Structural Insights from Quantum Mechanics/Molecular Mechanics Simulations

Naturally occurring intrastrand oxidative crosslink lesions have proven to be a potent source of endogenous DNA damage. Among the variety of lesions that can be formed and have been identified, G[8-5]C damage (in which the C8 atom of a guanine is covalentl ...

Amer Chemical Soc2013

A Hydrophobic Gold Surface Triggers Misfolding and Aggregation of the Amyloidogenic Josephin Domain in Monomeric Form, While Leaving the Oligomers Unaffected

Alessandra Apicella

Protein misfolding and aggregation in intracellular and extracellular spaces is regarded as a main marker of the presence of degenerative disorders such as amyloidoses. To elucidate the mechanisms of protein misfolding, the interaction of proteins with ino ...

Public Library Science2013

Optimal Design of Signaling Modules : Key Drivers, Trade-Offs and Sustainability

Andrijana Radivojevic

One of the basic characteristics of every living system is the ability to respond to extracellular signals. This is carried out through a limited number of protein-based signaling networks, whose function is not based only on simple transmission of the rec ...

EPFL2012

A silicon model of the inner hair cell

Yusuf Leblebici

In this paper we present an electrical model of the inner hair cell based on an improved mathematical model. The model is implemented in silicon in the current domain using translinear circuits. It improves on previous models by taking into consideration t ...

2011