Biomolecular visualization skills are paramount to understanding key concepts in the biological sciences, such as structure-function relationships and molecular interactions. Various programs allow a learner to manipulate 3D structures, and biomolecular modeling promotes active learning, builds computational skills, and bridges the gap between two dimensional textbook images and the three dimensions of life. A critical skill in this area is to model a protein active site, displaying parts of the macromolecule that can interact with a small molecule, or ligand, in a way that shows binding interactions.
Modeling an Enzyme Active Site using Molecular Visualization Freeware
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In this paper we propose a synthesis of various approaches mixing computational modeling, solving complex and sometimes ill-posed inverse problems and the development of efficient analytic perturbation procedures, which offer an analytic path to the solution of the mathematical design and optimization problems for constructing quantum networks with prescribed transport properties. Typically, 1-D features appear in the form of the single-mode scattering on the first spectral energy band in the resulting solvable model, but the analysis of multi-mode scattering is possible with our methodology. Here this matching is based on a recently developed version of the Dirichlet-to-Neumann map.