Simon W. de Leeuw

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Amyloid fibrils are structures consisting of many proteins with a well-defined conformation. The formation of these fibrils has been the subject of intense research, largely due to their connection to several diseases. We focus here on the computational studies and discuss these from a free-energy point of view. The fibrillogenic properties of many proteins(More)
We outline a model that describes the interaction of rods that form intertwined bundles. In this simple model, we compare the elastic energy penalty that arises due to the deformation of the rods to the gain in binding energy upon intertwining. We find that, for proper values of the bending Young's modulus and the binding energy, a helical pitch may be(More)
Computational scientists are facing a new era where the old ways of developing and reusing code have to be left behind and a few daring steps are to be made towards new horizons. The present work analyzes the needs that drive this change, the factors that contribute to the inertia of the community and slow the transition, the status and perspective of(More)
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