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Virtual tensile experiments on cylindrical copper wires of nanometric diameter were carried out using molecular dynamics techniques based on the embedded-atom method. Transverse, atomically sharp surface cracks with circular fronts of different depths are ...
The spectroscopy of amide I vibrations has become a powerful tool for exploring protein structure and dynamics. To help with spectral interpretation, it is often useful to perform molecular dynamics (MD) simulations. To connect spectroscopic experiments to ...
We present a new computational tool, METAGUI, which extends the VMD program with a graphical user interface that allows constructing a thermodynamic and kinetic model of a given process simulated by large-scale molecular dynamics. The tool is specially des ...
The contractile tail of bacteriophage T4 is a molecular machine that facilitates very high viral infection efficiency. Its major component is a tail sheath, which contracts during infection to less than half of its initial length. The sheath consists of 13 ...
Lon (or La) is a soluble, homooligomeric ATP-dependent protease. Mass determination and cryoelectron microscopy of pure mitochondrial Lon from Saccharomyces cerevisiae identify Lon as a flexible ring-shaped heptamer. In the presence of ATP or 5'-adenylylim ...
Proceedings of the National Academy of Sciences1999
This review provides an overview of the recent achievements in catalytic process development for alkyne hydrogenations. It underlines the necessity of simultaneous optimization over different length scales from molecular/nanoscale of active phase, up-to ma ...
The homoebox-containing genes of the Hox-5 complex are expressed in different but overlapping domains in limbs during murine development. The more 5' the position of these genes in the complex, the later and more distal is their expression. Antero-posterio ...
As living systems understanding got better, as life could be modeled in a batch, using immortalized cells, researches in fundamental sciences found startling applications of advanced techniques on living systems. As the biomaterial field developed various ...
