منابع مشابه
Evaluation of Models of Electrostatic Interactions in Proteins
The conformations of proteins and protein-protein complexes observed in nature must be low in free energy relative to alternative (not observed) conformations, and it is plausible (but not absolutely necessary) that the electrostatic free energies of experimentally observed conformations are also low relative to other conformations. Starting from this assumption, we evaluate alternative models ...
متن کاملElectrostatic Interactions in Biomolecular Systems
Electrostatic interactions are of fundamental importance in determining the structure, dynamics, and function of biomolecules. In particular, they play a key role in protein folding and stability, pH-induced conformational changes, recognition of substrates by receptors, enzymatic catalysis, and in the formation of polysaccharide-based gels. However, due to their magnitude and long-range nature...
متن کاملModeling electrostatic effects in proteins.
Electrostatic energies provide what is perhaps the most effective tool for structure-function correlation of biological molecules. This review considers the current state of simulations of electrostatic energies in macromolecules as well as the early developments of this field. We focus on the relationship between microscopic and macroscopic models, considering the convergence problems of the m...
متن کاملBiophysics Electrostatic potential molecular surfaces ( nucleic acids / proteins / drug - nucleic acid interactions / protein - ligand interactions )
Color-coded computer graphics representations of the electrostatic potentials of trypsin, trypsin-inhibitor, prealbumin and its thyroxine complex, fragments of double-helical DNA, and a netropsin-DNA complex illustrate the electrostatic and topographic complementarity in macromolecule-ligand interactions. This approach is powerful in revealing intermolecular specificity and shows promise of hav...
متن کاملDNA Packaging and Electrostatic Interactions
c © 2007 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher ment...
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ژورنال
عنوان ژورنال: Nature
سال: 1982
ISSN: 0028-0836,1476-4687
DOI: 10.1038/295013a0