By Nikolay V. Dokholyan
Computational modeling is rising as a strong new method of research and manage organic structures. a number of equipment were built to version, visualize, and rationally modify platforms at a variety of size scales, ranging from molecular modeling and layout at atomic answer to mobile pathways modeling and research. greater time and size scale tactics, equivalent to molecular evolution, have additionally tremendously benefited from new breeds of computational techniques. This ebook offers an outline of the validated computational tools used for modeling biologically and medically suitable platforms.
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Additional resources for Computational Modeling of Biological Systems: From Molecules to Pathways (Biological and Medical Physics, Biomedical Engineering)
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Rij ; r0 / Â NC ! rij ; r0 / for NC ij r0 : (9) The flexibility of the Gaussian approach also allows for multiple basin contact potentials for energy landscapes with multiple minima (see Sect. 3). Using multiple LJ potentials with different locations of the minima is not a viable option because the longest LJ potential would occlude the others with its excluded volume term. rij ; r˛ij ; rˇ / Â D 1C NC rij Ã12 ! rij ; rˇ / Á 1: (10) Analogous to (7), this construction fixes the depth of both minima at 1.