Teaching macromolecular modeling
نویسندگان
چکیده
منابع مشابه
Macromolecular modeling with rosetta.
Advances over the past few years have begun to enable prediction and design of macromolecular structures at near-atomic accuracy. Progress has stemmed from the development of reasonably accurate and efficiently computed all-atom potential functions as well as effective conformational sampling strategies appropriate for searching a highly rugged energy landscape, both driven by feedback from str...
متن کاملConstitutive modeling of macromolecular fluids
Macromolecular or polymeric liquids consist of polymer solutions, polymer melts, particle suspension fluids, and many biological fluids. Polymer solutions are made of polymers dissolved in solutions or solvent; polymer melts are molten polymers; particle suspension fluids consist of solid particles suspended in a matrix fluid which may be a viscous or viscoelastic fluid, blood flows consist of ...
متن کاملMultiscale modeling of macromolecular biosystems
In this article, we review the recent progress in multiresolution modeling of structure and dynamics of protein, RNA and their complexes. Many approaches using both physics-based and knowledge-based potentials have been developed at multiple granularities to model both protein and RNA. Coarse graining can be achieved not only in the length, but also in the time domain using discrete time and di...
متن کاملMultiscale modeling of coarse-grained macromolecular liquids.
A first-principle multiscale modeling approach is presented, which is derived from the solution of the Ornstein-Zernike equation for the coarse-grained representation of polymer liquids. The approach is analytical, and for this reason is transferable. It is here applied to determine the structure of several polymeric systems, which have different parameter values, such as molecular length, mono...
متن کاملModeling Symmetric Macromolecular Structures in Rosetta3
Symmetric protein assemblies play important roles in many biochemical processes. However, the large size of such systems is challenging for traditional structure modeling methods. This paper describes the implementation of a general framework for modeling arbitrary symmetric systems in Rosetta3. We describe the various types of symmetries relevant to the study of protein structure that may be m...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 1992
ISSN: 0006-3495
DOI: 10.1016/s0006-3495(92)81758-7