Journal ArticleDOI
CRYSOL : a program to evaluate X-ray solution scattering of biological macromolecules from atomic coordinates
TLDR
In this paper, a program for evaluating the solution scattering from macromolecules with known atomic structure is presented, which uses multipole expansion for fast calculation of the spherically averaged scattering pattern and takes into account the hydration shell.Abstract:
A program for evaluating the solution scattering from macromolecules with known atomic structure is presented. The program uses multipole expansion for fast calculation of the spherically averaged scattering pattern and takes into account the hydration shell. Given the atomic coordinates (e.g. from the Brookhaven Protein Data Bank) it can either predict the solution scattering curve or fit the experimental scattering curve using only two free parameters, the average displaced solvent volume per atomic group and the contrast of the hydration layer. The program runs on IBM PCs and on the major UNIX platforms.read more
Citations
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Journal ArticleDOI
Structural Ensembles of Intrinsically Disordered Proteins Depend Strongly on Force Field: A Comparison to Experiment
Sarah Rauscher,Vytautas Gapsys,Michal J. Gajda,Markus Zweckstetter,Markus Zweckstetter,Markus Zweckstetter,Bert L. de Groot,Helmut Grubmüller +7 more
TL;DR: This work compared the IDP ensembles generated by eight all-atom empirical force fields against primary small-angle X-ray scattering (SAXS) and NMR data and found that changing the force field is found to have a stronger effect on secondary structure content than changing the entire peptide sequence.
Journal ArticleDOI
Structural Insights into RNA Recognition by RIG-I
Dahai Luo,Steve C. Ding,Adriana Vela,Andrew Kohlway,Brett D. Lindenbach,Anna Marie Pyle,Anna Marie Pyle +6 more
TL;DR: The crystal structure of RIG-I in complex with double-stranded RNA reveals complex interplay between motor domains, accessory mechanical domains, and RNA that has implications for understanding the nanomechanical function of this protein family and other ATPases more broadly.
Journal ArticleDOI
Transducin Activation by Nanoscale Lipid Bilayers Containing One and Two Rhodopsins
TL;DR: It appears that only a single receptor in the Nanodiscs containing two rhodopsins can interact with G-protein, which has important implications for the stoichiometry of receptor-G-protein coupling and cross talk in signaling pathways.
Journal ArticleDOI
Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family.
X. Yang,Wen Hwa Lee,Frank Sobott,E. Papagrigoriou,Carol V. Robinson,Jorg Gunter Grossmann,Michael Sundström,Declan A. Doyle,Jonathan M. Elkins +8 more
TL;DR: Structural detail for five 14-3-3 isoforms bound to ligands is provided, providing structural coverage for all isoforms of a human protein family, and shows that the 14- 3-3 proteins are adaptable structures in which internal flexibility is likely to facilitate recognition and binding of their interaction partners.
Journal ArticleDOI
Reassessing random-coil statistics in unfolded proteins.
TL;DR: It is demonstrated that random-coil statistics are not a unique signature of featureless polymers, and a contrived counterexample in which largely native protein ensembles nevertheless exhibit random- coil characteristics is introduced.
References
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Book
International tables for X-ray crystallography
Norman Fordyce McKerron Henry,Lonsdale, Kathleen, Dame,John S. Kasper,Caroline H. MacGillavry,Gerard D. Rieck,James A. Ibers,Walter C. Hamilton +6 more
Angular Momentum in Quantum Mechanics
TL;DR: In this paper, the angular momentum, one of the most fundamental quantities in all of quantum mechanics, is introduced and a concise introduction to its application in atomic, molecular, and nuclear physics is provided.
Book
Angular Momentum in Quantum Mechanics
TL;DR: In this article, the angular momentum, one of the most fundamental quantities in all of quantum mechanics, is introduced and a concise introduction to its application in atomic, molecular, and nuclear physics is provided.