By Stuart A. Rice, Aaron R. Dinner
Each one quantity of the Advances in Chemical Physics sequence discusses elements of the kingdom of various matters in chemical physics and similar fields, with chapters written through best researchers within the box. studies released in Advances in Chemical Physics tend to be longer than these released in journals, delivering the gap wanted for readers to completely take hold of the subject, together with basics, most up-to-date discoveries, functions, and rising avenues of research.
Volume a hundred and fifty five explores:
• Modeling viral capsid assembly
• fees at aqueous interfaces, together with the improvement of computational techniques in direct touch with the experiment
• concept and simulation advances in solute precipitate nucleation
• A computational perspective of water within the liquid state
• development of strength services for lattice heteropolymer versions, together with effective encodings for constraint delight programming and quantum annealing
Advances in Chemical Physics is perfect for introducing newcomers to issues in chemical physics and serves because the ideal complement to any complicated graduate type dedicated to its research. The sequence additionally presents the basis wanted for more matured researchers to boost examine stories.
Read Online or Download Advances in Chemical Physics, Volume 155 PDF
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Additional info for Advances in Chemical Physics, Volume 155
The first dynamical simulations of capsid assembly were performed by Schwartz et al. , who considered a patchy-sphere type model with complementary attractive interactions directed such that lowest energy configurations corresponded to 60-subunit ???? = 1 closed shells. Their exploratory simulations using dissipative molecular dynamics identified the importance of annealing during assembly, as uncorrected assembly errors tend to lead to malformed structures. Rapaport considered models for icosahedral shells in which subunits have triangular  or trapezoidal  excluded-volume geometries.
Structures In this section, we consider capsid assembly around RNA or other types of cargo. , [92,93,213,214,214--223]). The packaged nucleic acids are less ordered than their protein containers and hence have been more difficult to characterize. However, cryo-EM experiments have identified that the nucleotide densities are nonuniform, with a peak near the inner capsid surface and relatively low densities in the interior [216,224,225]. , [93,216,223]). While atomistic detail has not been possible in these experiments, all-atom models have been derived from equilibrium simulations [1,226].
191]. Luque et al.  found that line tension of the growing shell drives premature closure of the shell, thus hindering formation of defect-free structures. Other mechanisms promoting disorder became important for structures comprised of more than 50 subunits. Interestingly, small defect-free shells could be assembled by adjusting the radius of the manifold. The important roles that templates can play in directing assembly will be discussed in Section IV. Recent studies indicate that RNA--protein interactions play a key role in determining assembly pathways for the ssRNA bacteriophage MS2 [92--94,135,208-212].
Advances in Chemical Physics, Volume 155 by Stuart A. Rice, Aaron R. Dinner